4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine

C18H19ClN4 — CID 68987726

IUPAC4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine
SMILESCc1ccc(C)c(C2=CC(N)(c3ccc(Cl)cc3)N=C(N)N2)c1
InChIInChI=1S/C18H19ClN4/c1-11-3-4-12(2)15(9-11)16-10-18(21,23-17(20)22-16)13-5-7-14(19)8-6-13/h3-10H,21H2,1-2H3,(H3,20,22,23)
InChIKeyJWXMMIPUZHVYEP-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.03
Rot. Bonds2

About 4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine

4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine (PubChem CID 68987726) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine
PubChem CID68987726
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine
SMILESCc1ccc(C)c(C2=CC(N)(c3ccc(Cl)cc3)N=C(N)N2)c1
InChIInChI=1S/C18H19ClN4/c1-11-3-4-12(2)15(9-11)16-10-18(21,23-17(20)22-16)13-5-7-14(19)8-6-13/h3-10H,21H2,1-2H3,(H3,20,22,23)
InChIKeyJWXMMIPUZHVYEP-UHFFFAOYSA-N
XLogP3.03
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine 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-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine (CID 68987726) is 4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine is Cc1ccc(C)c(C2=CC(N)(c3ccc(Cl)cc3)N=C(N)N2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is JWXMMIPUZHVYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c1-11-3-4-12(2)15(9-11)16-10-18(21,23-17(20)22-16)13-5-7-14(19)8-6-13/h3-10H,21H2,1-2H3,(H3,20,22,23).
What are the key properties of 4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine?
4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 326.83 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(2,5-dimethylphenyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 68987726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).