6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine

C15H16N6 — CID 114691047

IUPAC6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(-c2cnnn2-c2ccccc2)n1
InChIInChI=1S/C15H16N6/c1-10(2)15-18-12(8-14(16)19-15)13-9-17-20-21(13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,16,18,19)
InChIKeyFTIAVNQFJPESBC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.43
Rot. Bonds3

About 6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine

6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 114691047) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID114691047
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(-c2cnnn2-c2ccccc2)n1
InChIInChI=1S/C15H16N6/c1-10(2)15-18-12(8-14(16)19-15)13-9-17-20-21(13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,16,18,19)
InChIKeyFTIAVNQFJPESBC-UHFFFAOYSA-N
XLogP2.43
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine 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-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine (CID 114691047) is 6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(-c2cnnn2-c2ccccc2)n1.
What is the InChIKey of 6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is FTIAVNQFJPESBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-10(2)15-18-12(8-14(16)19-15)13-9-17-20-21(13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,16,18,19).
What are the key properties of 6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine?
6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114691047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).