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

C13H17ClN2O — CID 3053804

IUPAC2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCc1c(C)nc2cccc(C)n2c1=O.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-4-6-11-10(3)14-12-8-5-7-9(2)15(12)13(11)16;/h5,7-8H,4,6H2,1-3H3;1H
InChIKeyPNFRGIYYLFHHRS-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.69
Rot. Bonds2

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

2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 3053804) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID3053804
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCc1c(C)nc2cccc(C)n2c1=O.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-4-6-11-10(3)14-12-8-5-7-9(2)15(12)13(11)16;/h5,7-8H,4,6H2,1-3H3;1H
InChIKeyPNFRGIYYLFHHRS-UHFFFAOYSA-N
XLogP2.69
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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, 2-methyl-3-propyl-, monohydrochloride
CID 3053746
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
1,8-Diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one;hydrochloride
CID 12485565
11-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one;hydrochloride
CID 12485585
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

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 3053804) is 2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is CCCc1c(C)nc2cccc(C)n2c1=O.Cl.
What is the InChIKey of 2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is PNFRGIYYLFHHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c1-4-6-11-10(3)14-12-8-5-7-9(2)15(12)13(11)16;/h5,7-8H,4,6H2,1-3H3;1H.
What are the key properties of 2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 252.75 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 3053804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).