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

C10H14ClN3O — CID 83893063

IUPAC2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCNCc1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C10H14ClN3O/c1-12-6-7-9(11)13-8-4-2-3-5-14(8)10(7)15/h12H,2-6H2,1H3
InChIKeyCPHXAFVMQKGYKG-UHFFFAOYSA-N
MW227.69 g/mol
LogP0.95
Rot. Bonds2

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

2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83893063) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83893063
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCNCc1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C10H14ClN3O/c1-12-6-7-9(11)13-8-4-2-3-5-14(8)10(7)15/h12H,2-6H2,1H3
InChIKeyCPHXAFVMQKGYKG-UHFFFAOYSA-N
XLogP0.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 149515461
N-ethyl-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 153548836
1-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 13480644
3-(Aminomethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83878479
3-(Aminomethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83878480
3-(Aminomethyl)-8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83878481
3-(Aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83878482
2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83886169
3-(2-Aminoethyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83893064
2-Chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83899204
3-(1-Aminopropan-2-yl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83899206
3-(Aminomethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 105447164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83893063) is 2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CNCc1c(Cl)nc2n(c1=O)CCCC2.
What is the InChIKey of 2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CPHXAFVMQKGYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-12-6-7-9(11)13-8-4-2-3-5-14(8)10(7)15/h12H,2-6H2,1H3.
What are the key properties of 2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 227.69 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83893063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).