methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

C15H19N2O6P — CID 143705029

IUPACmethyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOP(Cc1ccc2nc(C(=O)OC)c(O)c(=O)n2c1)OCC
InChIInChI=1S/C15H19N2O6P/c1-4-22-24(23-5-2)9-10-6-7-11-16-12(15(20)21-3)13(18)14(19)17(11)8-10/h6-8,18H,4-5,9H2,1-3H3
InChIKeyJLVQLYNKQMLLBE-UHFFFAOYSA-N
MW354.30 g/mol
LogP2.07
Rot. Bonds7

About methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 143705029) has the molecular formula C15H19N2O6P and a molecular weight of 354.30 g/mol. Its IUPAC name is methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID143705029
Molecular FormulaC15H19N2O6P
Molecular Weight354.30 g/mol
Exact Mass354.10
IUPAC Namemethyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOP(Cc1ccc2nc(C(=O)OC)c(O)c(=O)n2c1)OCC
InChIInChI=1S/C15H19N2O6P/c1-4-22-24(23-5-2)9-10-6-7-11-16-12(15(20)21-3)13(18)14(19)17(11)8-10/h6-8,18H,4-5,9H2,1-3H3
InChIKeyJLVQLYNKQMLLBE-UHFFFAOYSA-N
XLogP2.07
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101054
methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101028
methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 70807298
methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 143705017
methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 46948729
methyl 4-hydroxy-1-iodo-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxylate
CID 174713333
ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 46941700
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 57494495
ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 6622036
ethyl 6-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 131537872
methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117253837

Frequently Asked Questions

What is the IUPAC name of methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 143705029) is methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is CCOP(Cc1ccc2nc(C(=O)OC)c(O)c(=O)n2c1)OCC.
What is the InChIKey of methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is JLVQLYNKQMLLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N2O6P/c1-4-22-24(23-5-2)9-10-6-7-11-16-12(15(20)21-3)13(18)14(19)17(11)8-10/h6-8,18H,4-5,9H2,1-3H3.
What are the key properties of methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 354.30 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 143705029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).