(2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol

C13H21N3O2 — CID 99777947

IUPAC(2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol
SMILESC[C@H](O)CNc1cncc(OC2CCCCC2)n1
InChIInChI=1S/C13H21N3O2/c1-10(17)7-15-12-8-14-9-13(16-12)18-11-5-3-2-4-6-11/h8-11,17H,2-7H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyFSBLRESYQYKVMC-JTQLQIEISA-N
MW251.33 g/mol
LogP1.98
Rot. Bonds5

About (2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol

(2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol (PubChem CID 99777947) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol
PubChem CID99777947
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol
SMILESC[C@H](O)CNc1cncc(OC2CCCCC2)n1
InChIInChI=1S/C13H21N3O2/c1-10(17)7-15-12-8-14-9-13(16-12)18-11-5-3-2-4-6-11/h8-11,17H,2-7H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyFSBLRESYQYKVMC-JTQLQIEISA-N
XLogP1.98
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol (CID 99777947) is (2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol is C[C@H](O)CNc1cncc(OC2CCCCC2)n1.
What is the InChIKey of (2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol?
The InChIKey is FSBLRESYQYKVMC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(17)7-15-12-8-14-9-13(16-12)18-11-5-3-2-4-6-11/h8-11,17H,2-7H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol?
(2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 99777947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).