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

C12H14N2O — CID 12527404

IUPAC3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1c(C)nc2ccc(C)cn2c1=O
InChIInChI=1S/C12H14N2O/c1-4-10-9(3)13-11-6-5-8(2)7-14(11)12(10)15/h5-7H,4H2,1-3H3
InChIKeyXFYIIXTWGSQBFN-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.87
Rot. Bonds1

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

3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 12527404) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID12527404
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1c(C)nc2ccc(C)cn2c1=O
InChIInChI=1S/C12H14N2O/c1-4-10-9(3)13-11-6-5-8(2)7-14(11)12(10)15/h5-7H,4H2,1-3H3
InChIKeyXFYIIXTWGSQBFN-UHFFFAOYSA-N
XLogP1.87
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 154321070
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 150974917
3-ethyl-2-methyl-7-nitropyrido[1,2-a]pyrimidin-4-one
CID 20568861
ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 6622036
2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 24862942
2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 82091833
2-amino-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 83832171
3-(chloromethyl)-2,6-dimethylimidazo[1,2-a]pyridine;hydrochloride
CID 82530392
3-tert-butyl-2,6-dimethylimidazo[1,2-a]pyridine
CID 143656817
2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 58357524
1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)butan-1-amine
CID 82029207
2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one
CID 12562121

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 12527404) is 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one is CCc1c(C)nc2ccc(C)cn2c1=O.
What is the InChIKey of 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XFYIIXTWGSQBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-4-10-9(3)13-11-6-5-8(2)7-14(11)12(10)15/h5-7H,4H2,1-3H3.
What are the key properties of 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 202.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 12527404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).