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

C9H8ClN3O — CID 82507970

IUPAC3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cnc2ccc(Cl)cn2c1=O
InChIInChI=1S/C9H8ClN3O/c10-7-1-2-8-12-4-6(3-11)9(14)13(8)5-7/h1-2,4-5H,3,11H2
InChIKeyNZNCXDJUJPZIFL-UHFFFAOYSA-N
MW209.64 g/mol
LogP0.81
Rot. Bonds1

About 3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one

3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one (PubChem CID 82507970) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
PubChem CID82507970
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cnc2ccc(Cl)cn2c1=O
InChIInChI=1S/C9H8ClN3O/c10-7-1-2-8-12-4-6(3-11)9(14)13(8)5-7/h1-2,4-5H,3,11H2
InChIKeyNZNCXDJUJPZIFL-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

ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
6-chloro-3-fluoroimidazo[1,2-a]pyridine
CID 138109250
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
3-(aminomethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115044938
7-chloro-2-(hydroxymethyl)-3-iodopyrido[1,2-a]pyrimidin-4-one
CID 59654171
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
2-(6-chloroimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 83869580
7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one
CID 84709899
N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71458576
(2-tert-butyl-6-chloroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 39199530
1-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
CID 132969705
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one (CID 82507970) is 3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one is NCc1cnc2ccc(Cl)cn2c1=O.
What is the InChIKey of 3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NZNCXDJUJPZIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-7-1-2-8-12-4-6(3-11)9(14)13(8)5-7/h1-2,4-5H,3,11H2.
What are the key properties of 3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one?
3-(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 3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 82507970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).