4-(2-chlorophenyl)-5-methylpyrimidin-2-amine

C11H10ClN3 — CID 68614881

IUPAC4-(2-chlorophenyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1-c1ccccc1Cl
InChIInChI=1S/C11H10ClN3/c1-7-6-14-11(13)15-10(7)8-4-2-3-5-9(8)12/h2-6H,1H3,(H2,13,14,15)
InChIKeyZANVSBXPYAPZCE-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.69
Rot. Bonds1

About 4-(2-chlorophenyl)-5-methylpyrimidin-2-amine

4-(2-chlorophenyl)-5-methylpyrimidin-2-amine (PubChem CID 68614881) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-methylpyrimidin-2-amine
PubChem CID68614881
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name4-(2-chlorophenyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1-c1ccccc1Cl
InChIInChI=1S/C11H10ClN3/c1-7-6-14-11(13)15-10(7)8-4-2-3-5-9(8)12/h2-6H,1H3,(H2,13,14,15)
InChIKeyZANVSBXPYAPZCE-UHFFFAOYSA-N
XLogP2.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-chlorophenyl)-5-methylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-5-methylpyrimidin-2-amine (CID 68614881) is 4-(2-chlorophenyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-methylpyrimidin-2-amine?
The InChIKey is ZANVSBXPYAPZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-7-6-14-11(13)15-10(7)8-4-2-3-5-9(8)12/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-(2-chlorophenyl)-5-methylpyrimidin-2-amine?
4-(2-chlorophenyl)-5-methylpyrimidin-2-amine has a molecular weight of 219.68 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 68614881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).