2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol

C11H19N3OS — CID 64806116

IUPAC2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESCC(C)NC(C)(CO)CSc1cnccn1
InChIInChI=1S/C11H19N3OS/c1-9(2)14-11(3,7-15)8-16-10-6-12-4-5-13-10/h4-6,9,14-15H,7-8H2,1-3H3
InChIKeyTXIGSNVMZRNCBC-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.32
Rot. Bonds6

About 2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol

2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol (PubChem CID 64806116) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol
PubChem CID64806116
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESCC(C)NC(C)(CO)CSc1cnccn1
InChIInChI=1S/C11H19N3OS/c1-9(2)14-11(3,7-15)8-16-10-6-12-4-5-13-10/h4-6,9,14-15H,7-8H2,1-3H3
InChIKeyTXIGSNVMZRNCBC-UHFFFAOYSA-N
XLogP1.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol
CID 64807637
2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 66103301
2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide
CID 64704753
2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol
CID 64807370
3-(3,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64805573
2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 64805495
2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile
CID 64711954
3-(2,4-difluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64821726
4-(1H-imidazol-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 107784596
3-pyrazin-2-ylsulfanylbutan-1-ol
CID 66138101
2-[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylpyrazine
CID 65015924
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64808384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol (CID 64806116) is 2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol is CC(C)NC(C)(CO)CSc1cnccn1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol?
The InChIKey is TXIGSNVMZRNCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9(2)14-11(3,7-15)8-16-10-6-12-4-5-13-10/h4-6,9,14-15H,7-8H2,1-3H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol?
2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol is sourced from PubChem (CID 64806116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).