6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine

C11H8Cl3N3 — CID 63735089

IUPAC6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl3N3/c1-6-10(14)15-5-16-11(6)17-9-3-7(12)2-8(13)4-9/h2-5H,1H3,(H,15,16,17)
InChIKeyZFUKRVZQIQUCJB-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.49
Rot. Bonds2

About 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine

6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine (PubChem CID 63735089) has the molecular formula C11H8Cl3N3 and a molecular weight of 288.56 g/mol. Its IUPAC name is 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine
PubChem CID63735089
Molecular FormulaC11H8Cl3N3
Molecular Weight288.56 g/mol
Exact Mass286.98
IUPAC Name6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl3N3/c1-6-10(14)15-5-16-11(6)17-9-3-7(12)2-8(13)4-9/h2-5H,1H3,(H,15,16,17)
InChIKeyZFUKRVZQIQUCJB-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine 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 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine (CID 63735089) is 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine?
The InChIKey is ZFUKRVZQIQUCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3/c1-6-10(14)15-5-16-11(6)17-9-3-7(12)2-8(13)4-9/h2-5H,1H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine?
6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine has a molecular weight of 288.56 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63735089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).