6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine

C17H21N7 — CID 175120555

IUPAC6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCc1c(C)nc(-c2ccccc2)n1-c1nc(N)nc(N)n1
InChIInChI=1S/C17H21N7/c1-3-4-10-13-11(2)20-14(12-8-6-5-7-9-12)24(13)17-22-15(18)21-16(19)23-17/h5-9H,3-4,10H2,1-2H3,(H4,18,19,21,22,23)
InChIKeyDZNJTWALRAEUMO-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.54
Rot. Bonds5

About 6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine

6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 175120555) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID175120555
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCc1c(C)nc(-c2ccccc2)n1-c1nc(N)nc(N)n1
InChIInChI=1S/C17H21N7/c1-3-4-10-13-11(2)20-14(12-8-6-5-7-9-12)24(13)17-22-15(18)21-16(19)23-17/h5-9H,3-4,10H2,1-2H3,(H4,18,19,21,22,23)
InChIKeyDZNJTWALRAEUMO-UHFFFAOYSA-N
XLogP2.54
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-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

Frequently Asked Questions

What is the IUPAC name of 6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 175120555) is 6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine is CCCCc1c(C)nc(-c2ccccc2)n1-c1nc(N)nc(N)n1.
What is the InChIKey of 6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DZNJTWALRAEUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-3-4-10-13-11(2)20-14(12-8-6-5-7-9-12)24(13)17-22-15(18)21-16(19)23-17/h5-9H,3-4,10H2,1-2H3,(H4,18,19,21,22,23).
What are the key properties of 6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 323.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175120555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).