3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride

C12H18Cl2N2O2 — CID 18353641

IUPAC3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCOC1CCc2nc(C)c(CCCl)c(=O)n2C1.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-8-10(5-6-13)12(16)15-7-9(17-2)3-4-11(15)14-8;/h9H,3-7H2,1-2H3;1H
InChIKeyHEVNEUYLAJAGLZ-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.72
Rot. Bonds3

About 3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride

3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 18353641) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID18353641
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCOC1CCc2nc(C)c(CCCl)c(=O)n2C1.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-8-10(5-6-13)12(16)15-7-9(17-2)3-4-11(15)14-8;/h9H,3-7H2,1-2H3;1H
InChIKeyHEVNEUYLAJAGLZ-UHFFFAOYSA-N
XLogP1.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloroethyl)-2-methyl-4H,6H,7H,8H,9H-pyrido(1,2-a)pyrimidin-4-one hydrochloride
CID 15605782
3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one
CID 2763079
3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido(1,2-a)-pyrimidin-4-one
CID 15547194
3-(2-Chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride
CID 49766142
3-(2-Chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 18353639
3-(2-chloroethyl)-6,7,8,9-tetrahydro-2,6-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one monohydrochloride
CID 19890741
3-(2-Chloroethyl)-9-dodecoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 21473716
3-(2-Chloroethyl)-9-(2-methoxyethoxy)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 21473724
3-(2-Chloroethyl)-2-methyl-9-(oxan-2-yloxy)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 25183617
9-(Acetyloxy)-3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 25189851
3-(2-Chloroethyl)-9-heptadec-1-enoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 57745481
9-Butoxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 67589915

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 18353641) is 3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride is COC1CCc2nc(C)c(CCCl)c(=O)n2C1.Cl.
What is the InChIKey of 3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is HEVNEUYLAJAGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.ClH/c1-8-10(5-6-13)12(16)15-7-9(17-2)3-4-11(15)14-8;/h9H,3-7H2,1-2H3;1H.
What are the key properties of 3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 293.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-7-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 18353641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).