1.0 2010-04-08 22:05:03 UTC 2025-11-18 22:32:17 UTC FDB001623 4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate 4-amino-5-hydroxymethyl-2-methylpyrimidine diphosphate is a member of the class of compounds known as organic pyrophosphates. Organic pyrophosphates are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O. 4-amino-5-hydroxymethyl-2-methylpyrimidine diphosphate can be found in swede, which makes 4-amino-5-hydroxymethyl-2-methylpyrimidine diphosphate a potential biomarker for the consumption of this food product. C6H13N3O8P2 317.1302 317.017787431 (4-amino-2-methylpyrimidin-5-yl)methanol; (phosphonooxy)phosphonic acid pyrophosphoric acid; toxopyrimidine OP(O)(=O)OP(O)(O)=O.CC1=NC=C(CO)C(N)=N1 InChI=1S/C6H9N3O.H4O7P2/c1-4-8-2-5(3-10)6(7)9-4;1-8(2,3)7-9(4,5)6/h2,10H,3H2,1H3,(H2,7,8,9);(H2,1,2,3)(H2,4,5,6) PCFPIDTUHTVMCO-UHFFFAOYSA-N belongs to the class of organic compounds known as organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O. Organic pyrophosphates Organic compounds Organic oxygen compounds Organic oxoanionic compounds Organic pyrophosphates Aromatic heteromonocyclic compounds Aminopyrimidines and derivatives Aromatic alcohols Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Organic oxides Organic phosphoric acids and derivatives Organopnictogen compounds Primary alcohols Primary amines Alcohol Amine Aminopyrimidine Aromatic alcohol Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Imidolactam Organic nitrogen compound Organic oxide Organic phosphoric acid derivative Organic pyrophosphate Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Primary amine Pyrimidine logp -0.36 ChemAxon pka_strongest_acidic 14.41 ChemAxon pka_strongest_basic 6.17 ChemAxon iupac (4-amino-2-methylpyrimidin-5-yl)methanol; (phosphonooxy)phosphonic acid ChemAxon average_mass 317.1302 ChemAxon mono_mass 317.017787431 ChemAxon smiles OP(O)(=O)OP(O)(O)=O.CC1=NC=C(CO)C(N)=N1 ChemAxon formula C6H13N3O8P2 ChemAxon inchi InChI=1S/C6H9N3O.H4O7P2/c1-4-8-2-5(3-10)6(7)9-4;1-8(2,3)7-9(4,5)6/h2,10H,3H2,1H3,(H2,7,8,9);(H2,1,2,3)(H2,4,5,6) ChemAxon inchikey PCFPIDTUHTVMCO-UHFFFAOYSA-N ChemAxon polar_surface_area 72.03 ChemAxon refractivity 39.18 ChemAxon polarizability 14.19 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 54960 Specdb::MsMs 54961 Specdb::MsMs 54962 Specdb::MsMs 117408 Specdb::MsMs 117409 Specdb::MsMs 117410 53032 Swede Type 1 specific Brassica napus 3708