6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine

C8H9ClN6 — CID 59483881

IUPAC6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESCc1nc(C)n(-c2nc(N)cc(Cl)n2)n1
InChIInChI=1S/C8H9ClN6/c1-4-11-5(2)15(14-4)8-12-6(9)3-7(10)13-8/h3H,1-2H3,(H2,10,12,13)
InChIKeyYGBOTUSQGOGJLQ-UHFFFAOYSA-N
MW224.66 g/mol
LogP0.91
Rot. Bonds1

About 6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine

6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine (PubChem CID 59483881) has the molecular formula C8H9ClN6 and a molecular weight of 224.66 g/mol. Its IUPAC name is 6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine
PubChem CID59483881
Molecular FormulaC8H9ClN6
Molecular Weight224.66 g/mol
Exact Mass224.06
IUPAC Name6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESCc1nc(C)n(-c2nc(N)cc(Cl)n2)n1
InChIInChI=1S/C8H9ClN6/c1-4-11-5(2)15(14-4)8-12-6(9)3-7(10)13-8/h3H,1-2H3,(H2,10,12,13)
InChIKeyYGBOTUSQGOGJLQ-UHFFFAOYSA-N
XLogP0.91
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine (CID 59483881) is 6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine is Cc1nc(C)n(-c2nc(N)cc(Cl)n2)n1.
What is the InChIKey of 6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine?
The InChIKey is YGBOTUSQGOGJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6/c1-4-11-5(2)15(14-4)8-12-6(9)3-7(10)13-8/h3H,1-2H3,(H2,10,12,13).
What are the key properties of 6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine?
6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine has a molecular weight of 224.66 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 59483881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).