2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one

C14H18N2O — CID 117063788

IUPAC2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2cc(C)cc(C)n2c(=O)c1CC
InChIInChI=1S/C14H18N2O/c1-5-11-12(6-2)15-13-8-9(3)7-10(4)16(13)14(11)17/h7-8H,5-6H2,1-4H3
InChIKeyPPBUYYPJAAOFBF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.44
Rot. Bonds2

About 2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one

2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 117063788) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID117063788
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2cc(C)cc(C)n2c(=O)c1CC
InChIInChI=1S/C14H18N2O/c1-5-11-12(6-2)15-13-8-9(3)7-10(4)16(13)14(11)17/h7-8H,5-6H2,1-4H3
InChIKeyPPBUYYPJAAOFBF-UHFFFAOYSA-N
XLogP2.44
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H-Pyrido(1,2-a)pyrimidin-4-one, 2,6-dimethyl-3-ethyl-, monohydrochloride
CID 155373
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
4H-Pyrido(1,2-a)pyrimidin-4-one, 2,3,6-trimethyl-, monohydrochloride
CID 3053738
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-butyl-2,6-dimethyl-, monohydrochloride
CID 3053740
4H-Pyrido(1,2-a)pyrimidin-4-one, 3,6-dimethyl-2-ethyl-, monohydrochloride
CID 3053742
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-ethyl-2,6,8-trimethyl-, monohydrochloride
CID 3053750
4H-Pyrido(1,2-a)pyrimidin-4-one, 2,6-dimethyl-3-propyl-, monohydrochloride
CID 3053804
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
4H-Pyrido[1,2-a]pyrimidin-4-one, 5,6-trimethyleno, 6-methyl
CID 523986
6H-Pyrido[2,1-b]quinazolin-6-one, 7,8,9,10-tetrahydro-6-methyl
CID 523988

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 117063788) is 2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one is CCc1nc2cc(C)cc(C)n2c(=O)c1CC.
What is the InChIKey of 2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PPBUYYPJAAOFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-5-11-12(6-2)15-13-8-9(3)7-10(4)16(13)14(11)17/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 230.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-6,8-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 117063788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).