6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine

C21H25N5 — CID 22547784

IUPAC6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
SMILESCC(C)c1ccc(Nc2ncnc(NCCc3ccccc3)c2N)cc1
InChIInChI=1S/C21H25N5/c1-15(2)17-8-10-18(11-9-17)26-21-19(22)20(24-14-25-21)23-13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13,22H2,1-2H3,(H2,23,24,25,26)
InChIKeyUFONBPJNENDXAQ-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.58
Rot. Bonds7

About 6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine

6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22547784) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22547784
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
SMILESCC(C)c1ccc(Nc2ncnc(NCCc3ccccc3)c2N)cc1
InChIInChI=1S/C21H25N5/c1-15(2)17-8-10-18(11-9-17)26-21-19(22)20(24-14-25-21)23-13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13,22H2,1-2H3,(H2,23,24,25,26)
InChIKeyUFONBPJNENDXAQ-UHFFFAOYSA-N
XLogP4.58
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)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,4-N-dibenzyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22547775
4-N-(4-phenoxyphenyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134746
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22545331
6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134737
4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138037
6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19138049
2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112894129
4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138034
4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138067
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974
6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22547831

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine (CID 22547784) is 6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine is CC(C)c1ccc(Nc2ncnc(NCCc3ccccc3)c2N)cc1.
What is the InChIKey of 6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is UFONBPJNENDXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-15(2)17-8-10-18(11-9-17)26-21-19(22)20(24-14-25-21)23-13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13,22H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine?
6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 347.47 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22547784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).