2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine

C13H19N5S — CID 80963065

IUPAC2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
SMILESCc1cc(Sc2cc(N)nc(C(C)(C)C)n2)n(C)n1
InChIInChI=1S/C13H19N5S/c1-8-6-11(18(5)17-8)19-10-7-9(14)15-12(16-10)13(2,3)4/h6-7H,1-5H3,(H2,14,15,16)
InChIKeyXORRBKOLOORTIR-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.55
Rot. Bonds2

About 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine

2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine (PubChem CID 80963065) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
PubChem CID80963065
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
SMILESCc1cc(Sc2cc(N)nc(C(C)(C)C)n2)n(C)n1
InChIInChI=1S/C13H19N5S/c1-8-6-11(18(5)17-8)19-10-7-9(14)15-12(16-10)13(2,3)4/h6-7H,1-5H3,(H2,14,15,16)
InChIKeyXORRBKOLOORTIR-UHFFFAOYSA-N
XLogP2.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine (CID 80963065) is 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine is Cc1cc(Sc2cc(N)nc(C(C)(C)C)n2)n(C)n1.
What is the InChIKey of 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine?
The InChIKey is XORRBKOLOORTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-8-6-11(18(5)17-8)19-10-7-9(14)15-12(16-10)13(2,3)4/h6-7H,1-5H3,(H2,14,15,16).
What are the key properties of 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine?
2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine has a molecular weight of 277.40 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80963065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).