3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

C11H12N2O — CID 3053745

IUPAC3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC1=C(N=C2C=CC=CN2C1=O)C
InChIInChI=1S/C11H12N2O/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14/h4-7H,3H2,1-2H3
InChIKeyDKKRVLCXVRLMMU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.20
Rot. Bonds1

About 3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 3053745) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID3053745
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC1=C(N=C2C=CC=CN2C1=O)C
InChIInChI=1S/C11H12N2O/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14/h4-7H,3H2,1-2H3
InChIKeyDKKRVLCXVRLMMU-UHFFFAOYSA-N
XLogP1.20
TPSA32.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity400

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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, 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
3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 817866
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
2-Chloro-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266518
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
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

Frequently Asked Questions

What is the IUPAC name of 3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (CID 3053745) is 3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is CCC1=C(N=C2C=CC=CN2C1=O)C.
What is the InChIKey of 3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DKKRVLCXVRLMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14/h4-7H,3H2,1-2H3.
What are the key properties of 3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 188.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3053745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).