3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one

C10H10N2O3S — CID 95564366

IUPAC3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(S(C)(=O)=O)nc2ccccn2c1=O
InChIInChI=1S/C10H10N2O3S/c1-7-9(16(2,14)15)11-8-5-3-4-6-12(8)10(7)13/h3-6H,1-2H3
InChIKeyDNAAZSHQERLICK-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.41
Rot. Bonds1

About 3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one

3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 95564366) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one
PubChem CID95564366
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(S(C)(=O)=O)nc2ccccn2c1=O
InChIInChI=1S/C10H10N2O3S/c1-7-9(16(2,14)15)11-8-5-3-4-6-12(8)10(7)13/h3-6H,1-2H3
InChIKeyDNAAZSHQERLICK-UHFFFAOYSA-N
XLogP0.41
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(propan-2-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 818165
9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde
CID 11264284
2,3-dichloropyrido[1,2-a]pyrimidin-4-one
CID 74890119
2-iodo-3-methylimidazo[1,2-a]pyridine
CID 126539861
2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 22299398
2-fluoroimidazo[1,2-a]pyridine-3-sulfonic acid
CID 86163699
6-methyl-N-methylsulfonyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 146154460
1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 523987
2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 122222300
3-isocyano-2-methylimidazo[1,2-a]pyridine
CID 167583216
3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 22308053
N-methyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)methanesulfonamide
CID 165446492

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one (CID 95564366) is 3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one is Cc1c(S(C)(=O)=O)nc2ccccn2c1=O.
What is the InChIKey of 3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DNAAZSHQERLICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-7-9(16(2,14)15)11-8-5-3-4-6-12(8)10(7)13/h3-6H,1-2H3.
What are the key properties of 3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one?
3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 238.27 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 95564366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).