[1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol

C12H19N3OS — CID 86796704

IUPAC[1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol
SMILESCSc1cncc(NC2CCCC2(C)CO)n1
InChIInChI=1S/C12H19N3OS/c1-12(8-16)5-3-4-9(12)14-10-6-13-7-11(15-10)17-2/h6-7,9,16H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyMMHRFIGQCDISAQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.16
Rot. Bonds4

About [1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol

[1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol (PubChem CID 86796704) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is [1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol
PubChem CID86796704
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name[1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol
SMILESCSc1cncc(NC2CCCC2(C)CO)n1
InChIInChI=1S/C12H19N3OS/c1-12(8-16)5-3-4-9(12)14-10-6-13-7-11(15-10)17-2/h6-7,9,16H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyMMHRFIGQCDISAQ-UHFFFAOYSA-N
XLogP2.16
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol?
The IUPAC name of [1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol (CID 86796704) is [1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol is CSc1cncc(NC2CCCC2(C)CO)n1.
What is the InChIKey of [1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol?
The InChIKey is MMHRFIGQCDISAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-12(8-16)5-3-4-9(12)14-10-6-13-7-11(15-10)17-2/h6-7,9,16H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of [1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol?
[1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol has a molecular weight of 253.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 86796704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).