4-chloro-6-cyclopropylpyrimidine

C7H7ClN2 — CID 24902140

IUPAC4-chloro-6-cyclopropylpyrimidine
SMILESClc1cc(C2CC2)ncn1
InChIInChI=1S/C7H7ClN2/c8-7-3-6(5-1-2-5)9-4-10-7/h3-5H,1-2H2
InChIKeyQQWGJFXERXLUHI-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.01
Rot. Bonds1

About 4-chloro-6-cyclopropylpyrimidine

4-chloro-6-cyclopropylpyrimidine (PubChem CID 24902140) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 4-chloro-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropylpyrimidine
PubChem CID24902140
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name4-chloro-6-cyclopropylpyrimidine
SMILESClc1cc(C2CC2)ncn1
InChIInChI=1S/C7H7ClN2/c8-7-3-6(5-1-2-5)9-4-10-7/h3-5H,1-2H2
InChIKeyQQWGJFXERXLUHI-UHFFFAOYSA-N
XLogP2.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-6-cyclopropylpyrimidine 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-6-cyclopropylpyrimidine?
The IUPAC name of 4-chloro-6-cyclopropylpyrimidine (CID 24902140) is 4-chloro-6-cyclopropylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropylpyrimidine is Clc1cc(C2CC2)ncn1.
What is the InChIKey of 4-chloro-6-cyclopropylpyrimidine?
The InChIKey is QQWGJFXERXLUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c8-7-3-6(5-1-2-5)9-4-10-7/h3-5H,1-2H2.
What are the key properties of 4-chloro-6-cyclopropylpyrimidine?
4-chloro-6-cyclopropylpyrimidine has a molecular weight of 154.60 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropylpyrimidine is sourced from PubChem (CID 24902140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).