6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine

C13H12N6 — CID 62202637

IUPAC6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine
SMILESCc1cc(N)nc(-c2cnn(-c3ccccc3)n2)n1
InChIInChI=1S/C13H12N6/c1-9-7-12(14)17-13(16-9)11-8-15-19(18-11)10-5-3-2-4-6-10/h2-8H,1H3,(H2,14,16,17)
InChIKeyDYMYRSRPJXNGKM-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.61
Rot. Bonds2

About 6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine

6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine (PubChem CID 62202637) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine
PubChem CID62202637
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine
SMILESCc1cc(N)nc(-c2cnn(-c3ccccc3)n2)n1
InChIInChI=1S/C13H12N6/c1-9-7-12(14)17-13(16-9)11-8-15-19(18-11)10-5-3-2-4-6-10/h2-8H,1H3,(H2,14,16,17)
InChIKeyDYMYRSRPJXNGKM-UHFFFAOYSA-N
XLogP1.61
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine (CID 62202637) is 6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine is Cc1cc(N)nc(-c2cnn(-c3ccccc3)n2)n1.
What is the InChIKey of 6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine?
The InChIKey is DYMYRSRPJXNGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c1-9-7-12(14)17-13(16-9)11-8-15-19(18-11)10-5-3-2-4-6-10/h2-8H,1H3,(H2,14,16,17).
What are the key properties of 6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine?
6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine has a molecular weight of 252.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 62202637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).