6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile

C11H13N3OS — CID 107551519

IUPAC6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(SCC2CCCO2)n1
InChIInChI=1S/C11H13N3OS/c1-8-5-9(6-12)14-11(13-8)16-7-10-3-2-4-15-10/h5,10H,2-4,7H2,1H3
InChIKeyGMCLXZFAJXZCML-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.93
Rot. Bonds3

About 6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile

6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile (PubChem CID 107551519) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile
PubChem CID107551519
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(SCC2CCCO2)n1
InChIInChI=1S/C11H13N3OS/c1-8-5-9(6-12)14-11(13-8)16-7-10-3-2-4-15-10/h5,10H,2-4,7H2,1H3
InChIKeyGMCLXZFAJXZCML-UHFFFAOYSA-N
XLogP1.93
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-propylsulfanylpyrimidine-4-carbonitrile
CID 107551361
6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine
CID 115331111
2-bromo-6-(oxolan-2-ylmethylsulfanyl)benzonitrile
CID 106494363
2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide
CID 107553071
2-amino-4-(oxolan-2-ylmethylsulfanyl)benzonitrile
CID 106494047
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile
CID 106494343
4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106494848
4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 106497876
5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
CID 130639077
4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine
CID 3327394
3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 4257341

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile (CID 107551519) is 6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(SCC2CCCO2)n1.
What is the InChIKey of 6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile?
The InChIKey is GMCLXZFAJXZCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-5-9(6-12)14-11(13-8)16-7-10-3-2-4-15-10/h5,10H,2-4,7H2,1H3.
What are the key properties of 6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile?
6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile has a molecular weight of 235.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107551519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).