2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one

C9H8ClN3O — CID 115026649

IUPAC2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C9H8ClN3O/c10-6-1-2-8-12-7(4-11)3-9(14)13(8)5-6/h1-3,5H,4,11H2
InChIKeyFNTTURPZGBEURG-UHFFFAOYSA-N
MW209.64 g/mol
LogP0.81
Rot. Bonds1

About 2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one

2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115026649) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
PubChem CID115026649
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C9H8ClN3O/c10-6-1-2-8-12-7(4-11)3-9(14)13(8)5-6/h1-3,5H,4,11H2
InChIKeyFNTTURPZGBEURG-UHFFFAOYSA-N
XLogP0.81
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47263113
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate
CID 77059875
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-chlorobenzoate
CID 18199886
2-[(3-amino-2-methylpropyl)sulfanylmethyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 66226296
7-chloro-2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106672517
2-[(2-aminophenyl)sulfanylmethyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 43248886
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 62063255
2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119907105
7-chloro-2-[1-(4-chlorophenyl)ethylsulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 55989165
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-but-2-enoate
CID 46827729

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one (CID 115026649) is 2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one is NCc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FNTTURPZGBEURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-6-1-2-8-12-7(4-11)3-9(14)13(8)5-6/h1-3,5H,4,11H2.
What are the key properties of 2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one?
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 209.64 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115026649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).