3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one

C10H9ClN2O — CID 3255478

IUPAC3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2cccc(C)n2c(=O)c1Cl
InChIInChI=1S/C10H9ClN2O/c1-6-4-3-5-8-12-7(2)9(11)10(14)13(6)8/h3-5H,1-2H3
InChIKeyCAMDPFYIYQWBHS-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.96
Rot. Bonds

About 3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one

3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 3255478) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID3255478
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2cccc(C)n2c(=O)c1Cl
InChIInChI=1S/C10H9ClN2O/c1-6-4-3-5-8-12-7(2)9(11)10(14)13(6)8/h3-5H,1-2H3
InChIKeyCAMDPFYIYQWBHS-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 3255478) is 3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2cccc(C)n2c(=O)c1Cl.
What is the InChIKey of 3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CAMDPFYIYQWBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-6-4-3-5-8-12-7(2)9(11)10(14)13(6)8/h3-5H,1-2H3.
What are the key properties of 3-chloro-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
3-chloro-2,6-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-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3255478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).