2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile

C12H10N4S2 — CID 2801141

IUPAC2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(C)nc(Sc2ccccn2)c1C#N
InChIInChI=1S/C12H10N4S2/c1-8-15-11(17-2)9(7-13)12(16-8)18-10-5-3-4-6-14-10/h3-6H,1-2H3
InChIKeyPOBPIWQCXBIHCM-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.92
Rot. Bonds3

About 2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile

2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile (PubChem CID 2801141) has the molecular formula C12H10N4S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile
PubChem CID2801141
Molecular FormulaC12H10N4S2
Molecular Weight274.37 g/mol
Exact Mass274.03
IUPAC Name2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(C)nc(Sc2ccccn2)c1C#N
InChIInChI=1S/C12H10N4S2/c1-8-15-11(17-2)9(7-13)12(16-8)18-10-5-3-4-6-14-10/h3-6H,1-2H3
InChIKeyPOBPIWQCXBIHCM-UHFFFAOYSA-N
XLogP2.92
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile (CID 2801141) is 2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile is CSc1nc(C)nc(Sc2ccccn2)c1C#N.
What is the InChIKey of 2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is POBPIWQCXBIHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S2/c1-8-15-11(17-2)9(7-13)12(16-8)18-10-5-3-4-6-14-10/h3-6H,1-2H3.
What are the key properties of 2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile?
2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanyl-6-pyridin-2-ylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2801141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).