6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile

C9H12N4OS — CID 107545228

IUPAC6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCS(C)=O)n1
InChIInChI=1S/C9H12N4OS/c1-7-5-8(6-10)13-9(12-7)11-3-4-15(2)14/h5H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyKJEVVYSAPSVPGS-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.45
Rot. Bonds4

About 6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile

6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile (PubChem CID 107545228) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
PubChem CID107545228
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCS(C)=O)n1
InChIInChI=1S/C9H12N4OS/c1-7-5-8(6-10)13-9(12-7)11-3-4-15(2)14/h5H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyKJEVVYSAPSVPGS-UHFFFAOYSA-N
XLogP0.45
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile
CID 107545250
4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
CID 115631573
2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383441
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698
2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
CID 110383439
6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile
CID 107551946
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545273
2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383464
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbonitrile
CID 107545023
6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile (CID 107545228) is 6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NCCS(C)=O)n1.
What is the InChIKey of 6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile?
The InChIKey is KJEVVYSAPSVPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-7-5-8(6-10)13-9(12-7)11-3-4-15(2)14/h5H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile?
6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile has a molecular weight of 224.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).