4-chloro-2,5,6-trimethylpyrimidine

C7H9ClN2 — CID 12600391

IUPAC4-chloro-2,5,6-trimethylpyrimidine
SMILESCc1nc(C)c(C)c(Cl)n1
InChIInChI=1S/C7H9ClN2/c1-4-5(2)9-6(3)10-7(4)8/h1-3H3
InChIKeyDIZOLBAICJZMSH-UHFFFAOYSA-N
MW156.62 g/mol
LogP2.06
Rot. Bonds

About 4-chloro-2,5,6-trimethylpyrimidine

4-chloro-2,5,6-trimethylpyrimidine (PubChem CID 12600391) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 4-chloro-2,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2,5,6-trimethylpyrimidine
PubChem CID12600391
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name4-chloro-2,5,6-trimethylpyrimidine
SMILESCc1nc(C)c(C)c(Cl)n1
InChIInChI=1S/C7H9ClN2/c1-4-5(2)9-6(3)10-7(4)8/h1-3H3
InChIKeyDIZOLBAICJZMSH-UHFFFAOYSA-N
XLogP2.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2,5,6-trimethylpyrimidine 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

2,4-Dichloro-5-(2-chloroethyl)-6-methylpyrimidine
CID 600353
4-Chloro-2,6-dimethylpyrimidine
CID 3154199
4-Chloro-5-ethyl-6-methylpyrimidin-2-amine
CID 676462
4-Chloro-6-methyl-2-(propan-2-yl)pyrimidine
CID 3306907
4-Amino-5-chloro-2,6-dimethylpyrimidine
CID 593843
4-Chloro-5,7-dihydro-2-methylthieno(3,4-d)pyrimidine
CID 79796
5-Bromo-4-chloro-2,6-dimethylpyrimidine
CID 12490576
2,4-Dichloro-5,6-dimethylpyrimidine
CID 241553
2,5,6-Trimethyl-1,4-dihydropyrimidin-4-imine
CID 61949943
5,6-Dimethylpyrimidine-2,4-diamine
CID 16070021
2,4-Dichloro-6-methylpyrimidine-5-carbonitrile
CID 351434
4-Chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
CID 2736503

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5,6-trimethylpyrimidine?
The IUPAC name of 4-chloro-2,5,6-trimethylpyrimidine (CID 12600391) is 4-chloro-2,5,6-trimethylpyrimidine.
What is the SMILES notation for 4-chloro-2,5,6-trimethylpyrimidine?
The canonical SMILES for 4-chloro-2,5,6-trimethylpyrimidine is Cc1nc(C)c(C)c(Cl)n1.
What is the InChIKey of 4-chloro-2,5,6-trimethylpyrimidine?
The InChIKey is DIZOLBAICJZMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-4-5(2)9-6(3)10-7(4)8/h1-3H3.
What are the key properties of 4-chloro-2,5,6-trimethylpyrimidine?
4-chloro-2,5,6-trimethylpyrimidine has a molecular weight of 156.62 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5,6-trimethylpyrimidine is sourced from PubChem (CID 12600391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).