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

C10H10N2O — CID 4021578

IUPAC2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(C)nc2c1
InChIInChI=1S/C10H10N2O/c1-7-3-4-12-9(5-7)11-8(2)6-10(12)13/h3-6H,1-2H3
InChIKeyPGSBLIOCWDIEIB-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.31
Rot. Bonds

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

2,8-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 4021578) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,8-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID4021578
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(C)nc2c1
InChIInChI=1S/C10H10N2O/c1-7-3-4-12-9(5-7)11-8(2)6-10(12)13/h3-6H,1-2H3
InChIKeyPGSBLIOCWDIEIB-UHFFFAOYSA-N
XLogP1.31
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266518
3,6-Dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 520938
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
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
Dock5-IN-1
CID 2827827
2,6-Dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 599968
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
4H-Pyrido(1,2-a)pyrimidin-4-one, 2,3,6-trimethyl-, monohydrochloride
CID 3053738
4H-Pyrido(1,2-a)pyrimidin-4-one, 3,6-dimethyl-2-ethyl-, monohydrochloride
CID 3053742
4H-Pyrido(1,2-a)pyrimidin-4-one, 2-methyl-3-propyl-, monohydrochloride
CID 3053746
4H-Pyrido(1,2-a)pyrimidin-4-one, 7-chloro-3-ethyl-2-methyl-, monohydrochloride
CID 3053806

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,8-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 4021578) is 2,8-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,8-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(C)nc2c1.
What is the InChIKey of 2,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PGSBLIOCWDIEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-3-4-12-9(5-7)11-8(2)6-10(12)13/h3-6H,1-2H3.
What are the key properties of 2,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
2,8-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 174.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 4021578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).