3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one

C10H9ClN2O — CID 740856

IUPAC3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C)c(Cl)c(=O)n2c1
InChIInChI=1S/C10H9ClN2O/c1-6-3-4-8-12-7(2)9(11)10(14)13(8)5-6/h3-5H,1-2H3
InChIKeySZQXKGHQZCLFOX-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.96
Rot. Bonds

About 3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one

3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 740856) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID740856
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C)c(Cl)c(=O)n2c1
InChIInChI=1S/C10H9ClN2O/c1-6-3-4-8-12-7(2)9(11)10(14)13(8)5-6/h3-5H,1-2H3
InChIKeySZQXKGHQZCLFOX-UHFFFAOYSA-N
XLogP1.96
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 817866
2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
2-Chloro-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266518
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-ethyl-2-methyl-, monohydrochloride
CID 3053744
4H-Pyrido(1,2-a)pyrimidin-4-one, 2,9-dimethyl-3-ethyl-, monohydrochloride
CID 3062164
7-bromo-3-chloro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 880093
4H-Pyrido(1,2-a)pyrimidin-4-one, 7-chloro-3-ethyl-2-methyl-, monohydrochloride
CID 3053806
2-(Chloromethyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2434807
2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 2434823
2-[[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2085635
3-Ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 12527405
3-Ethyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 23345425

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 740856) is 3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(C)c(Cl)c(=O)n2c1.
What is the InChIKey of 3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SZQXKGHQZCLFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-6-3-4-8-12-7(2)9(11)10(14)13(8)5-6/h3-5H,1-2H3.
What are the key properties of 3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 208.65 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 740856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).