6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile

C9H7N5S2 — CID 107551500

IUPAC6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Sc2nc(C)ns2)n1
InChIInChI=1S/C9H7N5S2/c1-5-3-7(4-10)13-8(11-5)15-9-12-6(2)14-16-9/h3H,1-2H3
InChIKeyJQKKZGSHUHQQGK-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.97
Rot. Bonds2

About 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile

6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile (PubChem CID 107551500) has the molecular formula C9H7N5S2 and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile
PubChem CID107551500
Molecular FormulaC9H7N5S2
Molecular Weight249.32 g/mol
Exact Mass249.01
IUPAC Name6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Sc2nc(C)ns2)n1
InChIInChI=1S/C9H7N5S2/c1-5-3-7(4-10)13-8(11-5)15-9-12-6(2)14-16-9/h3H,1-2H3
InChIKeyJQKKZGSHUHQQGK-UHFFFAOYSA-N
XLogP1.97
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Bis[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methanethione
CID 59915551
6-(3,5-Dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine-4-carbonitrile
CID 132210710
[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethylsulfanyl-methylsulfanylmethylidene]cyanamide
CID 2761226
6-Methyl-2-methylsulfanyl-pyrimidine-4-carbonitrile
CID 12395354
2-Bromo-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole
CID 64622253
2-[(4-Ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543941
6-Methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile
CID 107545313
6-Methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide
CID 107548119
6-Methyl-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile
CID 107551301
6-Methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile
CID 107551347
6-Methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551349
2-Tert-butylsulfanyl-6-methylpyrimidine-4-carbonitrile
CID 107551359

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile (CID 107551500) is 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Sc2nc(C)ns2)n1.
What is the InChIKey of 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile?
The InChIKey is JQKKZGSHUHQQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S2/c1-5-3-7(4-10)13-8(11-5)15-9-12-6(2)14-16-9/h3H,1-2H3.
What are the key properties of 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile?
6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107551500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).