5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

C13H15ClN4 — CID 80760078

IUPAC5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Nc1nc(N)ncc1Cl
InChIInChI=1S/C13H15ClN4/c1-8(2)9-5-3-4-6-11(9)17-12-10(14)7-16-13(15)18-12/h3-8H,1-2H3,(H3,15,16,17,18)
InChIKeyWMEOWRHYFUFJPV-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.58
Rot. Bonds3

About 5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 80760078) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID80760078
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Nc1nc(N)ncc1Cl
InChIInChI=1S/C13H15ClN4/c1-8(2)9-5-3-4-6-11(9)17-12-10(14)7-16-13(15)18-12/h3-8H,1-2H3,(H3,15,16,17,18)
InChIKeyWMEOWRHYFUFJPV-UHFFFAOYSA-N
XLogP3.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-N-(2-propan-2-ylphenyl)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 5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 80760078) is 5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is CC(C)c1ccccc1Nc1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is WMEOWRHYFUFJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-8(2)9-5-3-4-6-11(9)17-12-10(14)7-16-13(15)18-12/h3-8H,1-2H3,(H3,15,16,17,18).
What are the key properties of 5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80760078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).