6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine

C13H18N4OS — CID 55070537

IUPAC6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine
SMILESCc1cc(Sc2ccc(N)c(OC(C)C)n2)n(C)n1
InChIInChI=1S/C13H18N4OS/c1-8(2)18-13-10(14)5-6-11(15-13)19-12-7-9(3)16-17(12)4/h5-8H,14H2,1-4H3
InChIKeyRAMIBBZUORLUJV-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.64
Rot. Bonds4

About 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine (PubChem CID 55070537) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine
PubChem CID55070537
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine
SMILESCc1cc(Sc2ccc(N)c(OC(C)C)n2)n(C)n1
InChIInChI=1S/C13H18N4OS/c1-8(2)18-13-10(14)5-6-11(15-13)19-12-7-9(3)16-17(12)4/h5-8H,14H2,1-4H3
InChIKeyRAMIBBZUORLUJV-UHFFFAOYSA-N
XLogP2.64
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine (CID 55070537) is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine is Cc1cc(Sc2ccc(N)c(OC(C)C)n2)n(C)n1.
What is the InChIKey of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine?
The InChIKey is RAMIBBZUORLUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8(2)18-13-10(14)5-6-11(15-13)19-12-7-9(3)16-17(12)4/h5-8H,14H2,1-4H3.
What are the key properties of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine?
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine has a molecular weight of 278.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 55070537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).