4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine

C18H26N4 — CID 112899709

IUPAC4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(C(C)C)c1Nc1nccc(NC(C)(C)C)n1
InChIInChI=1S/C18H26N4/c1-12(2)14-9-7-8-13(3)16(14)21-17-19-11-10-15(20-17)22-18(4,5)6/h7-12H,1-6H3,(H2,19,20,21,22)
InChIKeyAZVXMFJERUIJPZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.86
Rot. Bonds4

About 4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine

4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112899709) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112899709
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(C(C)C)c1Nc1nccc(NC(C)(C)C)n1
InChIInChI=1S/C18H26N4/c1-12(2)14-9-7-8-13(3)16(14)21-17-19-11-10-15(20-17)22-18(4,5)6/h7-12H,1-6H3,(H2,19,20,21,22)
InChIKeyAZVXMFJERUIJPZ-UHFFFAOYSA-N
XLogP4.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)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

4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899705
4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881957
4-N-[4-(dimethylamino)phenyl]-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903306
2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903272
4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653229
N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316296
4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 112884209
4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112911418
2-N-(2,6-dimethylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112893984
4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887559
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112925285
5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938601

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 112899709) is 4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine is Cc1cccc(C(C)C)c1Nc1nccc(NC(C)(C)C)n1.
What is the InChIKey of 4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is AZVXMFJERUIJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-12(2)14-9-7-8-13(3)16(14)21-17-19-11-10-15(20-17)22-18(4,5)6/h7-12H,1-6H3,(H2,19,20,21,22).
What are the key properties of 4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine?
4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).