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

C15H20N4 — CID 80817728

IUPAC4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(C)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C15H20N4/c1-10-6-11(2)8-13(7-10)19(5)14-12(3)9-17-15(16-4)18-14/h6-9H,1-5H3,(H,16,17,18)
InChIKeyIRTAZLNFBRSQQF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.21
Rot. Bonds3

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

4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 80817728) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID80817728
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(C)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C15H20N4/c1-10-6-11(2)8-13(7-10)19(5)14-12(3)9-17-15(16-4)18-14/h6-9H,1-5H3,(H,16,17,18)
InChIKeyIRTAZLNFBRSQQF-UHFFFAOYSA-N
XLogP3.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-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

Related Compounds

4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 121475858
2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80793725
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80795202
5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 80767185
2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80797115
2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82744646
2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
CID 112667942
4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80836336
2-[ethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80790817
N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 116976971
5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80816956
4-N-ethyl-2-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815496

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 80817728) is 4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(N(C)c2cc(C)cc(C)c2)n1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is IRTAZLNFBRSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-6-11(2)8-13(7-10)19(5)14-12(3)9-17-15(16-4)18-14/h6-9H,1-5H3,(H,16,17,18).
What are the key properties of 4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine?
4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.21, 3 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)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80817728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).