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

C16H17IN2O — CID 136729850

IUPAC4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccccc1-c1nc(C2CCCC2)c(I)c(=O)[nH]1
InChIInChI=1S/C16H17IN2O/c1-10-6-2-5-9-12(10)15-18-14(11-7-3-4-8-11)13(17)16(20)19-15/h2,5-6,9,11H,3-4,7-8H2,1H3,(H,18,19,20)
InChIKeySQPZGOMPQDUJOX-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.01
Rot. Bonds2

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

4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 136729850) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is 4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
PubChem CID136729850
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC Name4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccccc1-c1nc(C2CCCC2)c(I)c(=O)[nH]1
InChIInChI=1S/C16H17IN2O/c1-10-6-2-5-9-12(10)15-18-14(11-7-3-4-8-11)13(17)16(20)19-15/h2,5-6,9,11H,3-4,7-8H2,1H3,(H,18,19,20)
InChIKeySQPZGOMPQDUJOX-UHFFFAOYSA-N
XLogP4.01
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclopentyl-5-iodo-2-(2-methylphenyl)-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

5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729693
4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729854
4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005328
5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730034
5-bromo-4-cyclopentyl-2-(2,4-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730055
5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136729643
4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one
CID 136696967
6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106481823
2-(3-bromo-4-fluorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729890
2-(3-bromo-4-chlorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729773
2-(4-bromothiophen-2-yl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729880
4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136729802

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one (CID 136729850) is 4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one is Cc1ccccc1-c1nc(C2CCCC2)c(I)c(=O)[nH]1.
What is the InChIKey of 4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is SQPZGOMPQDUJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-10-6-2-5-9-12(10)15-18-14(11-7-3-4-8-11)13(17)16(20)19-15/h2,5-6,9,11H,3-4,7-8H2,1H3,(H,18,19,20).
What are the key properties of 4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one?
4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 380.23 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).