2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine

C14H20N4S — CID 102926248

IUPAC2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine
SMILESCc1cc(C)nc(Sc2c(CCN)c(C)nn2C)c1
InChIInChI=1S/C14H20N4S/c1-9-7-10(2)16-13(8-9)19-14-12(5-6-15)11(3)17-18(14)4/h7-8H,5-6,15H2,1-4H3
InChIKeyUBZKXAAJVPUWFK-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.39
Rot. Bonds4

About 2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine

2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine (PubChem CID 102926248) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine
PubChem CID102926248
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine
SMILESCc1cc(C)nc(Sc2c(CCN)c(C)nn2C)c1
InChIInChI=1S/C14H20N4S/c1-9-7-10(2)16-13(8-9)19-14-12(5-6-15)11(3)17-18(14)4/h7-8H,5-6,15H2,1-4H3
InChIKeyUBZKXAAJVPUWFK-UHFFFAOYSA-N
XLogP2.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine (CID 102926248) is 2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine is Cc1cc(C)nc(Sc2c(CCN)c(C)nn2C)c1.
What is the InChIKey of 2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is UBZKXAAJVPUWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-9-7-10(2)16-13(8-9)19-14-12(5-6-15)11(3)17-18(14)4/h7-8H,5-6,15H2,1-4H3.
What are the key properties of 2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine?
2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 276.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 102926248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).