2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C11H16ClN3O — CID 83899204

IUPAC2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCNCCc1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C11H16ClN3O/c1-13-6-5-8-10(12)14-9-4-2-3-7-15(9)11(8)16/h13H,2-7H2,1H3
InChIKeyJKSQMWWHYDEIGC-UHFFFAOYSA-N
MW241.72 g/mol
LogP0.99
Rot. Bonds3

About 2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83899204) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83899204
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCNCCc1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C11H16ClN3O/c1-13-6-5-8-10(12)14-9-4-2-3-7-15(9)11(8)16/h13H,2-7H2,1H3
InChIKeyJKSQMWWHYDEIGC-UHFFFAOYSA-N
XLogP0.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one dihydrochloride
CID 72942019
2-(2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-yl)ethylazanium dichloride
CID 164512389
2-methyl-3-(2-(methylamino)ethyl)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 39347502
2-Amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 142116032
3-(2-Aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane
CID 142867705
6-Piperidin-1-yl-2-propan-2-yl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 147290637
2-(2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethylazanium
CID 161646524
2-Chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83893063
3-(2-Aminoethyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83893064
2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83893066
3-(3-Aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83899203

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83899204) is 2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CNCCc1c(Cl)nc2n(c1=O)CCCC2.
What is the InChIKey of 2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JKSQMWWHYDEIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-13-6-5-8-10(12)14-9-4-2-3-7-15(9)11(8)16/h13H,2-7H2,1H3.
What are the key properties of 2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 241.72 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83899204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).