2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile

C10H14N4S — CID 62267339

IUPAC2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile
SMILESCNC(C)(C#N)CSc1nccc(C)n1
InChIInChI=1S/C10H14N4S/c1-8-4-5-13-9(14-8)15-7-10(2,6-11)12-3/h4-5,12H,7H2,1-3H3
InChIKeyGYPHCVQGJRIJHE-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.38
Rot. Bonds4

About 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile

2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile (PubChem CID 62267339) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile
PubChem CID62267339
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile
SMILESCNC(C)(C#N)CSc1nccc(C)n1
InChIInChI=1S/C10H14N4S/c1-8-4-5-13-9(14-8)15-7-10(2,6-11)12-3/h4-5,12H,7H2,1-3H3
InChIKeyGYPHCVQGJRIJHE-UHFFFAOYSA-N
XLogP1.38
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile (CID 62267339) is 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile is CNC(C)(C#N)CSc1nccc(C)n1.
What is the InChIKey of 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile?
The InChIKey is GYPHCVQGJRIJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-8-4-5-13-9(14-8)15-7-10(2,6-11)12-3/h4-5,12H,7H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile?
2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile has a molecular weight of 222.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanenitrile is sourced from PubChem (CID 62267339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).