5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine

C17H24N4 — CID 80986116

IUPAC5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine
SMILESCCCc1ccc(Nc2nc(C(C)C)nc(N)c2C)cc1
InChIInChI=1S/C17H24N4/c1-5-6-13-7-9-14(10-8-13)19-17-12(4)15(18)20-16(21-17)11(2)3/h7-11H,5-6H2,1-4H3,(H3,18,19,20,21)
InChIKeyWXIJMOLJPBCMJU-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.19
Rot. Bonds5

About 5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine

5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine (PubChem CID 80986116) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine
PubChem CID80986116
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine
SMILESCCCc1ccc(Nc2nc(C(C)C)nc(N)c2C)cc1
InChIInChI=1S/C17H24N4/c1-5-6-13-7-9-14(10-8-13)19-17-12(4)15(18)20-16(21-17)11(2)3/h7-11H,5-6H2,1-4H3,(H3,18,19,20,21)
InChIKeyWXIJMOLJPBCMJU-UHFFFAOYSA-N
XLogP4.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-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-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 80981896
4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80977168
4-N-(4-butylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80779326
2-ethyl-6-hydrazinyl-5-methyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80994993
2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80976892
4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982672
5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976348
4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980652
4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80780181
N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006258
6-hydrazinyl-5-methyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894168
5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992963

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine (CID 80986116) is 5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine is CCCc1ccc(Nc2nc(C(C)C)nc(N)c2C)cc1.
What is the InChIKey of 5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine?
The InChIKey is WXIJMOLJPBCMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-6-13-7-9-14(10-8-13)19-17-12(4)15(18)20-16(21-17)11(2)3/h7-11H,5-6H2,1-4H3,(H3,18,19,20,21).
What are the key properties of 5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine?
5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80986116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).