2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine

C17H21N7 — CID 3237452

IUPAC2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(N(C)c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C17H21N7/c1-3-4-10-19-15-20-16(23(2)14-8-6-5-7-9-14)22-17(21-15)24-12-11-18-13-24/h5-9,11-13H,3-4,10H2,1-2H3,(H,19,20,21,22)
InChIKeyKUGLEHGRXKMLME-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.04
Rot. Bonds7

About 2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine

2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 3237452) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID3237452
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(N(C)c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C17H21N7/c1-3-4-10-19-15-20-16(23(2)14-8-6-5-7-9-14)22-17(21-15)24-12-11-18-13-24/h5-9,11-13H,3-4,10H2,1-2H3,(H,19,20,21,22)
InChIKeyKUGLEHGRXKMLME-UHFFFAOYSA-N
XLogP3.04
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-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

Related Compounds

1-Phenylimidazole
CID 81595
4-(2-methyl-1H-imidazol-1-yl)aniline
CID 3157478
4-(1H-imidazol-1-yl)aniline
CID 320165
1-(4-Fluorophenyl)imidazole
CID 140833
N-(1H-imidazol-4-ylmethyl)aniline
CID 13178307
3-(2-Methyl-1H-imidazol-1-yl)pyridine
CID 16654686
4-(2-(Phenylamino)ethyl)-1H-imidazole
CID 46222042
N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
CID 11370952
N-[3-(1H-imidazol-1-yl)propyl]-N'-phenylethanediamide
CID 3107634
1-methyl-2-(piperazin-1-yl)-1H-benzo[d]imidazole
CID 667551
2-(2-(4-(Dimethylamino)phenyl)diazenyl)-1,3-dimethyl-1H-imidazolium chloride (1:1)
CID 166491
Basic Orange 31
CID 9881454

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 3237452) is 2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine is CCCCNc1nc(N(C)c2ccccc2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KUGLEHGRXKMLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-3-4-10-19-15-20-16(23(2)14-8-6-5-7-9-14)22-17(21-15)24-12-11-18-13-24/h5-9,11-13H,3-4,10H2,1-2H3,(H,19,20,21,22).
What are the key properties of 2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 323.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-imidazol-1-yl-4-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3237452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).