N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

C13H12N6 — CID 62192127

IUPACN-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2)nc(-c2ncn[nH]2)n1
InChIInChI=1S/C13H12N6/c1-14-11-7-10(9-5-3-2-4-6-9)17-13(18-11)12-15-8-16-19-12/h2-8H,1H3,(H,14,17,18)(H,15,16,19)
InChIKeyMBVYNVYDSLVDQG-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.97
Rot. Bonds3

About N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (PubChem CID 62192127) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
PubChem CID62192127
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC NameN-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2)nc(-c2ncn[nH]2)n1
InChIInChI=1S/C13H12N6/c1-14-11-7-10(9-5-3-2-4-6-9)17-13(18-11)12-15-8-16-19-12/h2-8H,1H3,(H,14,17,18)(H,15,16,19)
InChIKeyMBVYNVYDSLVDQG-UHFFFAOYSA-N
XLogP1.97
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (CID 62192127) is N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is CNc1cc(-c2ccccc2)nc(-c2ncn[nH]2)n1.
What is the InChIKey of N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The InChIKey is MBVYNVYDSLVDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c1-14-11-7-10(9-5-3-2-4-6-9)17-13(18-11)12-15-8-16-19-12/h2-8H,1H3,(H,14,17,18)(H,15,16,19).
What are the key properties of N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine has a molecular weight of 252.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 62192127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).