4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine

C21H25N5 — CID 22539248

IUPAC4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCc1ccc(Nc2ncnc(N(CC)c3cccc(C)c3)c2N)cc1
InChIInChI=1S/C21H25N5/c1-4-16-9-11-17(12-10-16)25-20-19(22)21(24-14-23-20)26(5-2)18-8-6-7-15(3)13-18/h6-14H,4-5,22H2,1-3H3,(H,23,24,25)
InChIKeyOSTLKYNKGGGGGA-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.83
Rot. Bonds6

About 4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine

4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22539248) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22539248
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCc1ccc(Nc2ncnc(N(CC)c3cccc(C)c3)c2N)cc1
InChIInChI=1S/C21H25N5/c1-4-16-9-11-17(12-10-16)25-20-19(22)21(24-14-23-20)26(5-2)18-8-6-7-15(3)13-18/h6-14H,4-5,22H2,1-3H3,(H,23,24,25)
InChIKeyOSTLKYNKGGGGGA-UHFFFAOYSA-N
XLogP4.83
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine 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-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539360
6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539410
dimethyl 5-[[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22539264
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539411
6-N-benzyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539273
6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539339
4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539446
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539266
6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539256
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22544339
N-ethyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80899461

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (CID 22539248) is 4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is CCc1ccc(Nc2ncnc(N(CC)c3cccc(C)c3)c2N)cc1.
What is the InChIKey of 4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is OSTLKYNKGGGGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-4-16-9-11-17(12-10-16)25-20-19(22)21(24-14-23-20)26(5-2)18-8-6-7-15(3)13-18/h6-14H,4-5,22H2,1-3H3,(H,23,24,25).
What are the key properties of 4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 347.47 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).