2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H21N3O2 — CID 115758555

IUPAC2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cc(=O)n2ccccc2n1)CC1(O)CCCC1
InChIInChI=1S/C16H21N3O2/c1-18(12-16(21)7-3-4-8-16)11-13-10-15(20)19-9-5-2-6-14(19)17-13/h2,5-6,9-10,21H,3-4,7-8,11-12H2,1H3
InChIKeyHDYMWGNRFBDCBO-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.43
Rot. Bonds4

About 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115758555) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID115758555
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cc(=O)n2ccccc2n1)CC1(O)CCCC1
InChIInChI=1S/C16H21N3O2/c1-18(12-16(21)7-3-4-8-16)11-13-10-15(20)19-9-5-2-6-14(19)17-13/h2,5-6,9-10,21H,3-4,7-8,11-12H2,1H3
InChIKeyHDYMWGNRFBDCBO-UHFFFAOYSA-N
XLogP1.43
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 115758555) is 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(Cc1cc(=O)n2ccccc2n1)CC1(O)CCCC1.
What is the InChIKey of 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HDYMWGNRFBDCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18(12-16(21)7-3-4-8-16)11-13-10-15(20)19-9-5-2-6-14(19)17-13/h2,5-6,9-10,21H,3-4,7-8,11-12H2,1H3.
What are the key properties of 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115758555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).