2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine

C21H24N4 — CID 112889764

IUPAC2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1nccc(NCc2ccccc2C)n1
InChIInChI=1S/C21H24N4/c1-4-17-11-7-9-16(3)20(17)25-21-22-13-12-19(24-21)23-14-18-10-6-5-8-15(18)2/h5-13H,4,14H2,1-3H3,(H2,22,23,24,25)
InChIKeyKGQZCIUHTJJDCE-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.01
Rot. Bonds6

About 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine

2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112889764) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112889764
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1nccc(NCc2ccccc2C)n1
InChIInChI=1S/C21H24N4/c1-4-17-11-7-9-16(3)20(17)25-21-22-13-12-19(24-21)23-14-18-10-6-5-8-15(18)2/h5-13H,4,14H2,1-3H3,(H2,22,23,24,25)
InChIKeyKGQZCIUHTJJDCE-UHFFFAOYSA-N
XLogP5.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]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

Related Compounds

2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438
2-N-(2-ethyl-6-methylphenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894721
4-N-[(2-methylphenyl)methyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112889699
2-N-(4-bromophenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889782
2-N-butyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883006
2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903070
2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919784
4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112891151
1-[4-[[4-(2-ethyl-6-methylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903028
4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903019
4-N-[(2-methylphenyl)methyl]-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112889814
4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112889811

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112889764) is 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is CCc1cccc(C)c1Nc1nccc(NCc2ccccc2C)n1.
What is the InChIKey of 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KGQZCIUHTJJDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-4-17-11-7-9-16(3)20(17)25-21-22-13-12-19(24-21)23-14-18-10-6-5-8-15(18)2/h5-13H,4,14H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112889764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).