2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile

C13H20N4S — CID 64711954

IUPAC2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile
SMILESCC(C)NC(C)(C#N)CC(C)Sc1cnccn1
InChIInChI=1S/C13H20N4S/c1-10(2)17-13(4,9-14)7-11(3)18-12-8-15-5-6-16-12/h5-6,8,10-11,17H,7H2,1-4H3
InChIKeyXSXMJIWPMQIGJH-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.63
Rot. Bonds6

About 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile

2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile (PubChem CID 64711954) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile
PubChem CID64711954
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile
SMILESCC(C)NC(C)(C#N)CC(C)Sc1cnccn1
InChIInChI=1S/C13H20N4S/c1-10(2)17-13(4,9-14)7-11(3)18-12-8-15-5-6-16-12/h5-6,8,10-11,17H,7H2,1-4H3
InChIKeyXSXMJIWPMQIGJH-UHFFFAOYSA-N
XLogP2.63
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile (CID 64711954) is 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile is CC(C)NC(C)(C#N)CC(C)Sc1cnccn1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile?
The InChIKey is XSXMJIWPMQIGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-10(2)17-13(4,9-14)7-11(3)18-12-8-15-5-6-16-12/h5-6,8,10-11,17H,7H2,1-4H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile?
2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile has a molecular weight of 264.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile is sourced from PubChem (CID 64711954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).