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

C16H19N7 — CID 175118510

IUPAC6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCc1cn(-c2nc(N)nc(N)n2)c(-c2ccccc2)n1
InChIInChI=1S/C16H19N7/c1-2-3-9-12-10-23(16-21-14(17)20-15(18)22-16)13(19-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H4,17,18,20,21,22)
InChIKeyFVYHHNVSPIPJKW-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.23
Rot. Bonds5

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

6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 175118510) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID175118510
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCc1cn(-c2nc(N)nc(N)n2)c(-c2ccccc2)n1
InChIInChI=1S/C16H19N7/c1-2-3-9-12-10-23(16-21-14(17)20-15(18)22-16)13(19-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H4,17,18,20,21,22)
InChIKeyFVYHHNVSPIPJKW-UHFFFAOYSA-N
XLogP2.23
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 175118510) is 6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine is CCCCc1cn(-c2nc(N)nc(N)n2)c(-c2ccccc2)n1.
What is the InChIKey of 6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FVYHHNVSPIPJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-2-3-9-12-10-23(16-21-14(17)20-15(18)22-16)13(19-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H4,17,18,20,21,22).
What are the key properties of 6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 309.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175118510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).