2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine

C11H12ClN3 — CID 130056122

IUPAC2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine
SMILESCC(C)c1cc(-n2cccc2)nc(Cl)n1
InChIInChI=1S/C11H12ClN3/c1-8(2)9-7-10(14-11(12)13-9)15-5-3-4-6-15/h3-8H,1-2H3
InChIKeyKLEWVKBQCPKGEF-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.04
Rot. Bonds2

About 2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine

2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine (PubChem CID 130056122) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine
PubChem CID130056122
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine
SMILESCC(C)c1cc(-n2cccc2)nc(Cl)n1
InChIInChI=1S/C11H12ClN3/c1-8(2)9-7-10(14-11(12)13-9)15-5-3-4-6-15/h3-8H,1-2H3
InChIKeyKLEWVKBQCPKGEF-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-propan-2-yl-6-pyrrol-1-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 2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine?
The IUPAC name of 2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine (CID 130056122) is 2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine.
What is the SMILES notation for 2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine?
The canonical SMILES for 2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine is CC(C)c1cc(-n2cccc2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine?
The InChIKey is KLEWVKBQCPKGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8(2)9-7-10(14-11(12)13-9)15-5-3-4-6-15/h3-8H,1-2H3.
What are the key properties of 2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine?
2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine has a molecular weight of 221.69 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine is sourced from PubChem (CID 130056122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).