2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one

C13H9ClFIN2O — CID 137003528

IUPAC2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(F)cc(Cl)c2)nc(C2CC2)c1I
InChIInChI=1S/C13H9ClFIN2O/c14-8-3-7(4-9(15)5-8)12-17-11(6-1-2-6)10(16)13(19)18-12/h3-6H,1-2H2,(H,17,18,19)
InChIKeyMQCFMTKXSIYUFG-UHFFFAOYSA-N
MW390.58 g/mol
LogP3.71
Rot. Bonds2

About 2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one

2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one (PubChem CID 137003528) has the molecular formula C13H9ClFIN2O and a molecular weight of 390.58 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
PubChem CID137003528
Molecular FormulaC13H9ClFIN2O
Molecular Weight390.58 g/mol
Exact Mass389.94
IUPAC Name2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(F)cc(Cl)c2)nc(C2CC2)c1I
InChIInChI=1S/C13H9ClFIN2O/c14-8-3-7(4-9(15)5-8)12-17-11(6-1-2-6)10(16)13(19)18-12/h3-6H,1-2H2,(H,17,18,19)
InChIKeyMQCFMTKXSIYUFG-UHFFFAOYSA-N
XLogP3.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-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-(3-bromo-4-fluorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729890
2-(3-chloro-5-fluorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696441
2-(3-bromo-4-chlorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729773
2-(2-bromo-3,4-difluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136920021
2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine
CID 114454627
4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729854
4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 135975410
4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005324
4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one
CID 136696967
2-(3-bromo-2-pyridinyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136999478
2-(4-bromothiophen-2-yl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729880
4-cyclopentyl-2-(4,5-dibromothiophen-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 136683130

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one (CID 137003528) is 2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc(F)cc(Cl)c2)nc(C2CC2)c1I.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one?
The InChIKey is MQCFMTKXSIYUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFIN2O/c14-8-3-7(4-9(15)5-8)12-17-11(6-1-2-6)10(16)13(19)18-12/h3-6H,1-2H2,(H,17,18,19).
What are the key properties of 2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one?
2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one has a molecular weight of 390.58 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 137003528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).