4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one

C15H16IN3O — CID 136729851

IUPAC4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2ccccn2)nc(C2CCCC2)c1I
InChIInChI=1S/C15H16IN3O/c16-13-14(10-5-1-2-6-10)18-12(19-15(13)20)9-11-7-3-4-8-17-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,18,19,20)
InChIKeyUIQXGNLFOUQYCU-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.02
Rot. Bonds3

About 4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one

4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136729851) has the molecular formula C15H16IN3O and a molecular weight of 381.22 g/mol. Its IUPAC name is 4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136729851
Molecular FormulaC15H16IN3O
Molecular Weight381.22 g/mol
Exact Mass381.03
IUPAC Name4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2ccccn2)nc(C2CCCC2)c1I
InChIInChI=1S/C15H16IN3O/c16-13-14(10-5-1-2-6-10)18-12(19-15(13)20)9-11-7-3-4-8-17-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,18,19,20)
InChIKeyUIQXGNLFOUQYCU-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(chloromethyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729885
2-benzyl-5-bromo-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729655
4-hydroxy-5-phenyl-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one
CID 65430435
4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729854
4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729850
4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one
CID 136729870
4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136729802
1-(4-fluorocyclohexyl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135862984
4-cyclopropyl-5-iodo-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730225
2-(3-bromo-2-pyridinyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136999478
5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 136729648
4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730224

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one (CID 136729851) is 4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one is O=c1[nH]c(Cc2ccccn2)nc(C2CCCC2)c1I.
What is the InChIKey of 4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is UIQXGNLFOUQYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O/c16-13-14(10-5-1-2-6-10)18-12(19-15(13)20)9-11-7-3-4-8-17-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,18,19,20).
What are the key properties of 4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one?
4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 381.22 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).