2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile

C15H24N4S — CID 65043273

IUPAC2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile
SMILESCc1nc(SCCC(C)(C#N)NC(C)C)nc(C)c1C
InChIInChI=1S/C15H24N4S/c1-10(2)19-15(6,9-16)7-8-20-14-17-12(4)11(3)13(5)18-14/h10,19H,7-8H2,1-6H3
InChIKeyJSUYNLGATVXCIU-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.16
Rot. Bonds6

About 2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile

2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile (PubChem CID 65043273) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile
PubChem CID65043273
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile
SMILESCc1nc(SCCC(C)(C#N)NC(C)C)nc(C)c1C
InChIInChI=1S/C15H24N4S/c1-10(2)19-15(6,9-16)7-8-20-14-17-12(4)11(3)13(5)18-14/h10,19H,7-8H2,1-6H3
InChIKeyJSUYNLGATVXCIU-UHFFFAOYSA-N
XLogP3.16
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.16
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-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile (CID 65043273) is 2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile is Cc1nc(SCCC(C)(C#N)NC(C)C)nc(C)c1C.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile?
The InChIKey is JSUYNLGATVXCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-10(2)19-15(6,9-16)7-8-20-14-17-12(4)11(3)13(5)18-14/h10,19H,7-8H2,1-6H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile?
2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile has a molecular weight of 292.45 g/mol, XLogP of 3.16, 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-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanenitrile is sourced from PubChem (CID 65043273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).