N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine

C13H12N6 — CID 114691010

IUPACN-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
SMILESCNc1cc(-c2cnnn2-c2ccccc2)ncn1
InChIInChI=1S/C13H12N6/c1-14-13-7-11(15-9-16-13)12-8-17-18-19(12)10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15,16)
InChIKeyFMXATLVPPSTSQH-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.77
Rot. Bonds3

About N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine

N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine (PubChem CID 114691010) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
PubChem CID114691010
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC NameN-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
SMILESCNc1cc(-c2cnnn2-c2ccccc2)ncn1
InChIInChI=1S/C13H12N6/c1-14-13-7-11(15-9-16-13)12-8-17-18-19(12)10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15,16)
InChIKeyFMXATLVPPSTSQH-UHFFFAOYSA-N
XLogP1.77
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
CID 114691056
4-fluoro-2-(3-phenyltriazol-4-yl)pyridine
CID 102824567
5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
CID 114691054
1-methyl-5-(3-phenyltriazol-4-yl)triazole
CID 22215524
2-methyl-4-(3-phenyltriazol-4-yl)aniline
CID 114689600
6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine
CID 106878720
6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 114691047
1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine
CID 114689809
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
4-(3-phenyltriazol-4-yl)aniline
CID 53485501
N-methyl-6-quinolin-2-ylpyrimidin-4-amine
CID 116645319
5-(2-bromophenyl)-1-phenyltriazole
CID 146164567

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine (CID 114691010) is N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine is CNc1cc(-c2cnnn2-c2ccccc2)ncn1.
What is the InChIKey of N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine?
The InChIKey is FMXATLVPPSTSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c1-14-13-7-11(15-9-16-13)12-8-17-18-19(12)10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15,16).
What are the key properties of N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine?
N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine has a molecular weight of 252.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 114691010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).