4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine

C11H14ClIN2 — CID 66294868

IUPAC4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(C2CC2C)nc(Cl)c1I
InChIInChI=1S/C11H14ClIN2/c1-5(2)9-8(13)10(12)15-11(14-9)7-4-6(7)3/h5-7H,4H2,1-3H3
InChIKeyIOAAIOFYSSCKEC-UHFFFAOYSA-N
MW336.60 g/mol
LogP3.98
Rot. Bonds2

About 4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine

4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine (PubChem CID 66294868) has the molecular formula C11H14ClIN2 and a molecular weight of 336.60 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine
PubChem CID66294868
Molecular FormulaC11H14ClIN2
Molecular Weight336.60 g/mol
Exact Mass335.99
IUPAC Name4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(C2CC2C)nc(Cl)c1I
InChIInChI=1S/C11H14ClIN2/c1-5(2)9-8(13)10(12)15-11(14-9)7-4-6(7)3/h5-7H,4H2,1-3H3
InChIKeyIOAAIOFYSSCKEC-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.60
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine 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 4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine (CID 66294868) is 4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine is CC(C)c1nc(C2CC2C)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine?
The InChIKey is IOAAIOFYSSCKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2/c1-5(2)9-8(13)10(12)15-11(14-9)7-4-6(7)3/h5-7H,4H2,1-3H3.
What are the key properties of 4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine?
4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine has a molecular weight of 336.60 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2-(2-methylcyclopropyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 66294868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).