4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine

C8H8FIN2 — CID 164652186

IUPAC4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine
SMILESCc1nc(F)c(I)c(C2CC2)n1
InChIInChI=1S/C8H8FIN2/c1-4-11-7(5-2-3-5)6(10)8(9)12-4/h5H,2-3H2,1H3
InChIKeyRBJOWTKLJATQFX-UHFFFAOYSA-N
MW278.07 g/mol
LogP2.41
Rot. Bonds1

About 4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine

4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine (PubChem CID 164652186) has the molecular formula C8H8FIN2 and a molecular weight of 278.07 g/mol. Its IUPAC name is 4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine
PubChem CID164652186
Molecular FormulaC8H8FIN2
Molecular Weight278.07 g/mol
Exact Mass277.97
IUPAC Name4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine
SMILESCc1nc(F)c(I)c(C2CC2)n1
InChIInChI=1S/C8H8FIN2/c1-4-11-7(5-2-3-5)6(10)8(9)12-4/h5H,2-3H2,1H3
InChIKeyRBJOWTKLJATQFX-UHFFFAOYSA-N
XLogP2.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.07
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine 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

4-cyclopropyl-2,5,6-trimethylpyrimidine
CID 163258333
4-chloro-6-cyclohexyl-2-methylpyrimidin-5-ol
CID 14196532
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 81277655
6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66303993
6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66301958
6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine
CID 107504376
6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66302764
3-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine
CID 105477990
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66302773
4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine
CID 66292684
6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine
CID 66301951
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66303801

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine?
The IUPAC name of 4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine (CID 164652186) is 4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine?
The canonical SMILES for 4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine is Cc1nc(F)c(I)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine?
The InChIKey is RBJOWTKLJATQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIN2/c1-4-11-7(5-2-3-5)6(10)8(9)12-4/h5H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine?
4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine has a molecular weight of 278.07 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-fluoro-5-iodo-2-methylpyrimidine is sourced from PubChem (CID 164652186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).