(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate

C19H18N2O5S — CID 8836522

IUPAC(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate
SMILESCc1cccc2nc(COC(=O)c3cccc(CS(C)(=O)=O)c3)cc(=O)n12
InChIInChI=1S/C19H18N2O5S/c1-13-5-3-8-17-20-16(10-18(22)21(13)17)11-26-19(23)15-7-4-6-14(9-15)12-27(2,24)25/h3-10H,11-12H2,1-2H3
InChIKeyOPJUHBUIOABOOL-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.90
Rot. Bonds5

About (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate (PubChem CID 8836522) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate.

Molecular Properties

Compound Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate
PubChem CID8836522
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate
SMILESCc1cccc2nc(COC(=O)c3cccc(CS(C)(=O)=O)c3)cc(=O)n12
InChIInChI=1S/C19H18N2O5S/c1-13-5-3-8-17-20-16(10-18(22)21(13)17)11-26-19(23)15-7-4-6-14(9-15)12-27(2,24)25/h3-10H,11-12H2,1-2H3
InChIKeyOPJUHBUIOABOOL-UHFFFAOYSA-N
XLogP1.90
TPSA94.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-bromo-3-nitrobenzoate
CID 55356270
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 55463077
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466411
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 46805264
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648581
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 55926130
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-4,5-dimethoxybenzoate
CID 55356459
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 55355841
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 55562324
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562397
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-bromophenyl)methoxy]benzoate
CID 43023310

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate?
The IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate (CID 8836522) is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate.
What is the SMILES notation for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate?
The canonical SMILES for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate is Cc1cccc2nc(COC(=O)c3cccc(CS(C)(=O)=O)c3)cc(=O)n12.
What is the InChIKey of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate?
The InChIKey is OPJUHBUIOABOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-13-5-3-8-17-20-16(10-18(22)21(13)17)11-26-19(23)15-7-4-6-14(9-15)12-27(2,24)25/h3-10H,11-12H2,1-2H3.
What are the key properties of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate?
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate has a molecular weight of 386.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate is sourced from PubChem (CID 8836522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).