2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile

C8H9N3S3 — CID 11053865

IUPAC2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile
SMILESCSc1nc(SC)c(C#N)c(SC)n1
InChIInChI=1S/C8H9N3S3/c1-12-6-5(4-9)7(13-2)11-8(10-6)14-3/h1-3H3
InChIKeyDENDFGTZEAOVGU-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.51
Rot. Bonds3

About 2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile

2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile (PubChem CID 11053865) has the molecular formula C8H9N3S3 and a molecular weight of 243.38 g/mol. Its IUPAC name is 2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile
PubChem CID11053865
Molecular FormulaC8H9N3S3
Molecular Weight243.38 g/mol
Exact Mass243.00
IUPAC Name2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile
SMILESCSc1nc(SC)c(C#N)c(SC)n1
InChIInChI=1S/C8H9N3S3/c1-12-6-5(4-9)7(13-2)11-8(10-6)14-3/h1-3H3
InChIKeyDENDFGTZEAOVGU-UHFFFAOYSA-N
XLogP2.51
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-bis[(4-methylphenyl)sulfanyl]-2-methylsulfanylpyrimidine-5-carbonitrile
CID 2746989
4-(4-tert-butylphenyl)-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
CID 2819208
2,4-diamino-6-methylsulfanylpyrimidine-5-carbonitrile
CID 16795548
7-amino-2,5-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 14202150
4-methylsulfanyl-2,6-bis[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl]pyrimidine-5-carbonitrile
CID 16750897
6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile
CID 84665565
4-amino-6-benzylsulfanyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 135005337
4-amino-2-[(4-cyanophenyl)methylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile
CID 15370313
4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 100776168
5-methyl-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
CID 512963
2-[5-cyano-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidin-4-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 16751203
2-amino-4-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 689226

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile (CID 11053865) is 2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile is CSc1nc(SC)c(C#N)c(SC)n1.
What is the InChIKey of 2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile?
The InChIKey is DENDFGTZEAOVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S3/c1-12-6-5(4-9)7(13-2)11-8(10-6)14-3/h1-3H3.
What are the key properties of 2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile?
2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile has a molecular weight of 243.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 11053865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).