4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine

C9H7ClN4 — CID 43622203

IUPAC4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine
SMILESCc1cc(Cl)nc(-c2ncccn2)n1
InChIInChI=1S/C9H7ClN4/c1-6-5-7(10)14-9(13-6)8-11-3-2-4-12-8/h2-5H,1H3
InChIKeyAQRZLGUVRPSCRO-UHFFFAOYSA-N
MW206.64 g/mol
LogP1.90
Rot. Bonds1

About 4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine

4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine (PubChem CID 43622203) has the molecular formula C9H7ClN4 and a molecular weight of 206.64 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine
PubChem CID43622203
Molecular FormulaC9H7ClN4
Molecular Weight206.64 g/mol
Exact Mass206.04
IUPAC Name4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine
SMILESCc1cc(Cl)nc(-c2ncccn2)n1
InChIInChI=1S/C9H7ClN4/c1-6-5-7(10)14-9(13-6)8-11-3-2-4-12-8/h2-5H,1H3
InChIKeyAQRZLGUVRPSCRO-UHFFFAOYSA-N
XLogP1.90
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-methyl-2-pyrimidin-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-6-methyl-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine (CID 43622203) is 4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine is Cc1cc(Cl)nc(-c2ncccn2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine?
The InChIKey is AQRZLGUVRPSCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4/c1-6-5-7(10)14-9(13-6)8-11-3-2-4-12-8/h2-5H,1H3.
What are the key properties of 4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine?
4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine has a molecular weight of 206.64 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 43622203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).