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

C17H21N7 — CID 175118540

IUPAC6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCc1cn(-c2nc(N)nc(N)n2)c(-c2ccccc2)n1
InChIInChI=1S/C17H21N7/c1-2-3-5-10-13-11-24(17-22-15(18)21-16(19)23-17)14(20-13)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3,(H4,18,19,21,22,23)
InChIKeyJEUNLLWQQYEOTD-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.62
Rot. Bonds6

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

6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 175118540) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID175118540
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCc1cn(-c2nc(N)nc(N)n2)c(-c2ccccc2)n1
InChIInChI=1S/C17H21N7/c1-2-3-5-10-13-11-24(17-22-15(18)21-16(19)23-17)14(20-13)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3,(H4,18,19,21,22,23)
InChIKeyJEUNLLWQQYEOTD-UHFFFAOYSA-N
XLogP2.62
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 175118510
6-(4-ethyl-2-undecylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 175349543
6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 175120555
4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide
CID 22997947
2-phenyl-4-(3-phenylpropyl)-1-propylimidazole
CID 69389912
4-hexyl-2-phenyl-1,3-selenazole
CID 10685032
5-pentyl-4-phenyl-1,3-thiazol-2-amine
CID 3356434
6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine
CID 175354559
2-pentylquinolin-4-amine
CID 14082309
2,6-dipentylpyridine
CID 58097448
5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 142476699
1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride
CID 162666154

Frequently Asked Questions

What is the IUPAC name of 6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 175118540) is 6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine is CCCCCc1cn(-c2nc(N)nc(N)n2)c(-c2ccccc2)n1.
What is the InChIKey of 6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JEUNLLWQQYEOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-2-3-5-10-13-11-24(17-22-15(18)21-16(19)23-17)14(20-13)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3,(H4,18,19,21,22,23).
What are the key properties of 6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 323.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pentyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175118540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).