2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C12H15ClN2O — CID 3053746

IUPAC2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCc1c(C)nc2ccccn2c1=O.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-3-6-10-9(2)13-11-7-4-5-8-14(11)12(10)15;/h4-5,7-8H,3,6H2,1-2H3;1H
InChIKeyPZJMOIDOEVWKJA-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.38
Rot. Bonds2

About 2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 3053746) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID3053746
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCc1c(C)nc2ccccn2c1=O.Cl
InChIInChI=1S/C12H14N2O.ClH/c1-3-6-10-9(2)13-11-7-4-5-8-14(11)12(10)15;/h4-5,7-8H,3,6H2,1-2H3;1H
InChIKeyPZJMOIDOEVWKJA-UHFFFAOYSA-N
XLogP2.38
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 817866
2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
3-butyl-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135425019
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
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-butyl-2-methyl-, monohydrochloride
CID 3053748
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-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 3053746) is 2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is CCCc1c(C)nc2ccccn2c1=O.Cl.
What is the InChIKey of 2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is PZJMOIDOEVWKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.ClH/c1-3-6-10-9(2)13-11-7-4-5-8-14(11)12(10)15;/h4-5,7-8H,3,6H2,1-2H3;1H.
What are the key properties of 2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 3053746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).