4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine

C12H12ClN3 — CID 141218795

IUPAC4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(Cl)nc(N)n2)c(C)c1
InChIInChI=1S/C12H12ClN3/c1-7-3-4-9(8(2)5-7)10-6-11(13)16-12(14)15-10/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyDOEKIGGZUUDARU-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.00
Rot. Bonds1

About 4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine

4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine (PubChem CID 141218795) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine
PubChem CID141218795
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(Cl)nc(N)n2)c(C)c1
InChIInChI=1S/C12H12ClN3/c1-7-3-4-9(8(2)5-7)10-6-11(13)16-12(14)15-10/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyDOEKIGGZUUDARU-UHFFFAOYSA-N
XLogP3.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine 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

4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine
CID 59104281
4-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine
CID 82293115
azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 87855847
4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine
CID 155169736
4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine
CID 175606408
4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine
CID 90189205
6-chloro-4-(2,4-dimethylphenyl)pyridazin-3-amine
CID 22024492
6-chloro-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 853308
4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine
CID 43557888
1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892482
6-(2,4-dimethylphenyl)-2,3-dimethylpyridine;ethane
CID 176948420
2-chloro-6-(2-methylphenyl)pyridin-4-amine
CID 105473401

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine (CID 141218795) is 4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine is Cc1ccc(-c2cc(Cl)nc(N)n2)c(C)c1.
What is the InChIKey of 4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is DOEKIGGZUUDARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-7-3-4-9(8(2)5-7)10-6-11(13)16-12(14)15-10/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine?
4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 141218795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).