2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H19N3O — CID 55170506

IUPAC2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCC1NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-11-5-4-6-13(11)16-10-12-9-15(19)18-8-3-2-7-14(18)17-12/h2-3,7-9,11,13,16H,4-6,10H2,1H3
InChIKeyYQIRRWKNCQQFGM-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.97
Rot. Bonds3

About 2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55170506) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55170506
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCC1NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-11-5-4-6-13(11)16-10-12-9-15(19)18-8-3-2-7-14(18)17-12/h2-3,7-9,11,13,16H,4-6,10H2,1H3
InChIKeyYQIRRWKNCQQFGM-UHFFFAOYSA-N
XLogP1.97
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 55170506) is 2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CC1CCCC1NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YQIRRWKNCQQFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-5-4-6-13(11)16-10-12-9-15(19)18-8-3-2-7-14(18)17-12/h2-3,7-9,11,13,16H,4-6,10H2,1H3.
What are the key properties of 2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 257.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55170506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).