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

C12H14N2O — CID 3053743

IUPAC2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2cccc(C)n2c(=O)c1C
InChIInChI=1S/C12H14N2O/c1-4-10-9(3)12(15)14-8(2)6-5-7-11(14)13-10/h5-7H,4H2,1-3H3
InChIKeyLZUPNXMYPFUBNK-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.87
Rot. Bonds1

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

2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 3053743) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID3053743
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2cccc(C)n2c(=O)c1C
InChIInChI=1S/C12H14N2O/c1-4-10-9(3)12(15)14-8(2)6-5-7-11(14)13-10/h5-7H,4H2,1-3H3
InChIKeyLZUPNXMYPFUBNK-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

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
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
CH 150
CID 93406
2,6-Dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 599968
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 3053743) is 2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one is CCc1nc2cccc(C)n2c(=O)c1C.
What is the InChIKey of 2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LZUPNXMYPFUBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-4-10-9(3)12(15)14-8(2)6-5-7-11(14)13-10/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
2-ethyl-3,6-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 2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3053743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).