3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C15H18N4O2 — CID 119631055

IUPAC3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCCC3CN)c(=O)n2c1
InChIInChI=1S/C15H18N4O2/c1-10-4-5-13-17-8-12(15(21)19(13)9-10)14(20)18-6-2-3-11(18)7-16/h4-5,8-9,11H,2-3,6-7,16H2,1H3
InChIKeyQSGWZPHPMWLIJB-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.57
Rot. Bonds2

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

3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 119631055) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID119631055
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCCC3CN)c(=O)n2c1
InChIInChI=1S/C15H18N4O2/c1-10-4-5-13-17-8-12(15(21)19(13)9-10)14(20)18-6-2-3-11(18)7-16/h4-5,8-9,11H,2-3,6-7,16H2,1H3
InChIKeyQSGWZPHPMWLIJB-UHFFFAOYSA-N
XLogP0.57
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119631054
3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119377302
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119592865
3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120573008
N-[2-(aminomethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119609339
3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97007914
3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97007915
8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119649095
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 124517231
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone
CID 124699298
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120749650

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 119631055) is 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C(=O)N3CCCC3CN)c(=O)n2c1.
What is the InChIKey of 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QSGWZPHPMWLIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-4-5-13-17-8-12(15(21)19(13)9-10)14(20)18-6-2-3-11(18)7-16/h4-5,8-9,11H,2-3,6-7,16H2,1H3.
What are the key properties of 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 286.33 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 119631055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).