2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol

C13H19N3OS — CID 64806532

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESOCC(CSc1cnccn1)(NC1CC1)C1CC1
InChIInChI=1S/C13H19N3OS/c17-8-13(10-1-2-10,16-11-3-4-11)9-18-12-7-14-5-6-15-12/h5-7,10-11,16-17H,1-4,8-9H2
InChIKeyCHDOZMPRHMWAHF-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.46
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol (PubChem CID 64806532) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol
PubChem CID64806532
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESOCC(CSc1cnccn1)(NC1CC1)C1CC1
InChIInChI=1S/C13H19N3OS/c17-8-13(10-1-2-10,16-11-3-4-11)9-18-12-7-14-5-6-15-12/h5-7,10-11,16-17H,1-4,8-9H2
InChIKeyCHDOZMPRHMWAHF-UHFFFAOYSA-N
XLogP1.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
CID 63380951
2-Cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoic acid
CID 63921061
2-Cyclopropyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropanoic acid
CID 63921256
2-Methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentan-1-ol
CID 64805493
2-(Propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
CID 64805494
2-Amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 64805495
2-(Propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 64805701
2-(Cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol
CID 64805702
2-Methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentan-1-ol
CID 64805703
2-Amino-2-methyl-4-pyrazin-2-ylsulfanylpentan-1-ol
CID 64805902
2-Methyl-2-(methylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
CID 64805904
2-Methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
CID 64806114

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol (CID 64806532) is 2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol is OCC(CSc1cnccn1)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol?
The InChIKey is CHDOZMPRHMWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c17-8-13(10-1-2-10,16-11-3-4-11)9-18-12-7-14-5-6-15-12/h5-7,10-11,16-17H,1-4,8-9H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol has a molecular weight of 265.38 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol is sourced from PubChem (CID 64806532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).