ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one

C13H18N2O — CID 143696548

IUPACethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC.CCc1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C11H12N2O.C2H6/c1-3-9-7-12-10-6-8(2)4-5-13(10)11(9)14;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyPITBMIAJXJHXOF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.59
Rot. Bonds1

About ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one

ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 143696548) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID143696548
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC.CCc1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C11H12N2O.C2H6/c1-3-9-7-12-10-6-8(2)4-5-13(10)11(9)14;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyPITBMIAJXJHXOF-UHFFFAOYSA-N
XLogP2.59
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135448456
2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
3-Ethyl-4-hydroxypyrido[1,2-a]pyrimidin-2-one
CID 135419040
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
4H-Pyrido(1,2-a)pyrimidine-3-acetamide, 6-methyl-4-oxo-N-propyl-
CID 3079294
4-hydroxy-3-(2-methylprop-1-en-1-yl)-2H-pyrido[1,2-a]pyrimidin-2-one
CID 135403901
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
8-Methylpyrido[1,2-a]pyrimidine-2,4-dione
CID 56695261

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 143696548) is ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one is CC.CCc1cnc2cc(C)ccn2c1=O.
What is the InChIKey of ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PITBMIAJXJHXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6/c1-3-9-7-12-10-6-8(2)4-5-13(10)11(9)14;1-2/h4-7H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one?
ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 218.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 143696548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).