2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C11H13ClN2O — CID 3053738

IUPAC2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1nc2cccc(C)n2c(=O)c1C.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-7-5-4-6-10-12-9(3)8(2)11(14)13(7)10;/h4-6H,1-3H3;1H
InChIKeyUTAAZZMZYSOQPC-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.04
Rot. Bonds

About 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 3053738) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID3053738
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1nc2cccc(C)n2c(=O)c1C.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-7-5-4-6-10-12-9(3)8(2)11(14)13(7)10;/h4-6H,1-3H3;1H
InChIKeyUTAAZZMZYSOQPC-UHFFFAOYSA-N
XLogP2.04
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.04
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-chloro-2,6-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3255478
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
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
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, 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
2-(chloromethyl)-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 776367
4,6-Dimethyl-pyrido[1,2-a]pyrimidin-2-one
CID 11052146
3-Ethyl-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 604744

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 3053738) is 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1nc2cccc(C)n2c(=O)c1C.Cl.
What is the InChIKey of 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is UTAAZZMZYSOQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c1-7-5-4-6-10-12-9(3)8(2)11(14)13(7)10;/h4-6H,1-3H3;1H.
What are the key properties of 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 3053738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).