4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine

C15H16N6 — CID 714193

IUPAC4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)Nc1nc(-c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C15H16N6/c1-11(2)17-14-18-13(12-6-4-3-5-7-12)19-15(20-14)21-9-8-16-10-21/h3-11H,1-2H3,(H,17,18,19,20)
InChIKeyUQEXOFCAYJFPPD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.54
Rot. Bonds4

About 4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 714193) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID714193
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)Nc1nc(-c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C15H16N6/c1-11(2)17-14-18-13(12-6-4-3-5-7-12)19-15(20-14)21-9-8-16-10-21/h3-11H,1-2H3,(H,17,18,19,20)
InChIKeyUQEXOFCAYJFPPD-UHFFFAOYSA-N
XLogP2.54
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine (CID 714193) is 4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine is CC(C)Nc1nc(-c2ccccc2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is UQEXOFCAYJFPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-11(2)17-14-18-13(12-6-4-3-5-7-12)19-15(20-14)21-9-8-16-10-21/h3-11H,1-2H3,(H,17,18,19,20).
What are the key properties of 4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-phenyl-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 714193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).