2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine

C21H24N4 — CID 112937847

IUPAC2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(-c3ccccc3)nc(NC(C)(C)C)n2)cc1
InChIInChI=1S/C21H24N4/c1-15-10-12-17(13-11-15)22-19-14-18(16-8-6-5-7-9-16)23-20(24-19)25-21(2,3)4/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyBBXIFWVWHJQCFM-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.41
Rot. Bonds4

About 2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine

2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112937847) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112937847
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(-c3ccccc3)nc(NC(C)(C)C)n2)cc1
InChIInChI=1S/C21H24N4/c1-15-10-12-17(13-11-15)22-19-14-18(16-8-6-5-7-9-16)23-20(24-19)25-21(2,3)4/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyBBXIFWVWHJQCFM-UHFFFAOYSA-N
XLogP5.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-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-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932857
4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937801
4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935835
4-N-butyl-2-N-tert-butyl-6-phenylpyrimidine-2,4-diamine
CID 112933581
N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
CID 9151407
2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937720
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935970
4-N-tert-butyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112875910
2-N-[2-(dimethylamino)ethyl]-4-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935959
4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol
CID 16876818
1-[4-[[4-(tert-butylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]cyclopentane-1-carboxylic acid
CID 46185251

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine (CID 112937847) is 2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine is Cc1ccc(Nc2cc(-c3ccccc3)nc(NC(C)(C)C)n2)cc1.
What is the InChIKey of 2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is BBXIFWVWHJQCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-15-10-12-17(13-11-15)22-19-14-18(16-8-6-5-7-9-16)23-20(24-19)25-21(2,3)4/h5-14H,1-4H3,(H2,22,23,24,25).
What are the key properties of 2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112937847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).