4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile

C7H7N3S — CID 13114188

IUPAC4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1ncc(C#N)c(C)n1
InChIInChI=1S/C7H7N3S/c1-5-6(3-8)4-9-7(10-5)11-2/h4H,1-2H3
InChIKeyMOLWXTRTWIEVJK-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.38
Rot. Bonds1

About 4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile

4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 13114188) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID13114188
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1ncc(C#N)c(C)n1
InChIInChI=1S/C7H7N3S/c1-5-6(3-8)4-9-7(10-5)11-2/h4H,1-2H3
InChIKeyMOLWXTRTWIEVJK-UHFFFAOYSA-N
XLogP1.38
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile (CID 13114188) is 4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile is CSc1ncc(C#N)c(C)n1.
What is the InChIKey of 4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is MOLWXTRTWIEVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-5-6(3-8)4-9-7(10-5)11-2/h4H,1-2H3.
What are the key properties of 4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile?
4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 165.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 13114188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).