4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine

C15H20N4 — CID 80780181

IUPAC4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCCCCc1ccc(Nc2ncnc(N)c2C)cc1
InChIInChI=1S/C15H20N4/c1-3-4-5-12-6-8-13(9-7-12)19-15-11(2)14(16)17-10-18-15/h6-10H,3-5H2,1-2H3,(H3,16,17,18,19)
InChIKeyJZPNBFQTOZZTLT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.45
Rot. Bonds5

About 4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine

4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80780181) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80780181
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCCCCc1ccc(Nc2ncnc(N)c2C)cc1
InChIInChI=1S/C15H20N4/c1-3-4-5-12-6-8-13(9-7-12)19-15-11(2)14(16)17-10-18-15/h6-10H,3-5H2,1-2H3,(H3,16,17,18,19)
InChIKeyJZPNBFQTOZZTLT-UHFFFAOYSA-N
XLogP3.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(4-butylphenyl)-5-methylpyrimidine-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-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80779469
4-N-(4-butylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80779326
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974
6-hydrazinyl-5-methyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894168
6-N-(4-butylphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 22540135
4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80772920
6-N-(4-butylphenyl)-4-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
CID 22540062
6-N-(4-butylphenyl)-4-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22540036
6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22540147
6-N-(4-butylphenyl)-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22540078
N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 22540106
6-N-(4-butylphenyl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22540079

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine (CID 80780181) is 4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine is CCCCc1ccc(Nc2ncnc(N)c2C)cc1.
What is the InChIKey of 4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is JZPNBFQTOZZTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-4-5-12-6-8-13(9-7-12)19-15-11(2)14(16)17-10-18-15/h6-10H,3-5H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine?
4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80780181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).