4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine

C15H20N4 — CID 80818222

IUPAC4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCc1cc(C)cc(N(C)c2nc(C)nc(N)c2C)c1
InChIInChI=1S/C15H20N4/c1-9-6-10(2)8-13(7-9)19(5)15-11(3)14(16)17-12(4)18-15/h6-8H,1-5H3,(H2,16,17,18)
InChIKeyANPPEOYZIBCZIW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.06
Rot. Bonds2

About 4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80818222) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80818222
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCc1cc(C)cc(N(C)c2nc(C)nc(N)c2C)c1
InChIInChI=1S/C15H20N4/c1-9-6-10(2)8-13(7-9)19(5)15-11(3)14(16)17-12(4)18-15/h6-8H,1-5H3,(H2,16,17,18)
InChIKeyANPPEOYZIBCZIW-UHFFFAOYSA-N
XLogP3.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-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-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80818222) is 4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine is Cc1cc(C)cc(N(C)c2nc(C)nc(N)c2C)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is ANPPEOYZIBCZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-9-6-10(2)8-13(7-9)19(5)15-11(3)14(16)17-12(4)18-15/h6-8H,1-5H3,(H2,16,17,18).
What are the key properties of 4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80818222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).