6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine

C12H11N7 — CID 106878720

IUPAC6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2cnnn2-c2ccccc2)nc(N)n1
InChIInChI=1S/C12H11N7/c13-11-6-9(16-12(14)17-11)10-7-15-18-19(10)8-4-2-1-3-5-8/h1-7H,(H4,13,14,16,17)
InChIKeyBQZMSXNIILGPPO-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.89
Rot. Bonds2

About 6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine

6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 106878720) has the molecular formula C12H11N7 and a molecular weight of 253.27 g/mol. Its IUPAC name is 6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine
PubChem CID106878720
Molecular FormulaC12H11N7
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2cnnn2-c2ccccc2)nc(N)n1
InChIInChI=1S/C12H11N7/c13-11-6-9(16-12(14)17-11)10-7-15-18-19(10)8-4-2-1-3-5-8/h1-7H,(H4,13,14,16,17)
InChIKeyBQZMSXNIILGPPO-UHFFFAOYSA-N
XLogP0.89
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-phenyltriazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 114691047
6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 167923532
4-(3-phenyltriazol-4-yl)aniline
CID 53485501
2-methyl-4-(3-phenyltriazol-4-yl)aniline
CID 114689600
4-fluoro-2-(3-phenyltriazol-4-yl)pyridine
CID 102824567
4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine
CID 114691062
2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
CID 114691056
2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline
CID 107616039
1-methyl-5-(3-phenyltriazol-4-yl)triazole
CID 22215524
1-phenyl-5-thiophen-2-yltriazole
CID 121010770
5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine
CID 114691050
N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
CID 114691010

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine (CID 106878720) is 6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine is Nc1cc(-c2cnnn2-c2ccccc2)nc(N)n1.
What is the InChIKey of 6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is BQZMSXNIILGPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7/c13-11-6-9(16-12(14)17-11)10-7-15-18-19(10)8-4-2-1-3-5-8/h1-7H,(H4,13,14,16,17).
What are the key properties of 6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine?
6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 253.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106878720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).