4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile

C8H9ClN4S — CID 5221022

IUPAC4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(Cl)c(C#N)c(N(C)C)n1
InChIInChI=1S/C8H9ClN4S/c1-13(2)7-5(4-10)6(9)11-8(12-7)14-3/h1-3H3
InChIKeyJWNKREMBCDNPLJ-UHFFFAOYSA-N
MW228.71 g/mol
LogP1.79
Rot. Bonds2

About 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile

4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 5221022) has the molecular formula C8H9ClN4S and a molecular weight of 228.71 g/mol. Its IUPAC name is 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID5221022
Molecular FormulaC8H9ClN4S
Molecular Weight228.71 g/mol
Exact Mass228.02
IUPAC Name4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(Cl)c(C#N)c(N(C)C)n1
InChIInChI=1S/C8H9ClN4S/c1-13(2)7-5(4-10)6(9)11-8(12-7)14-3/h1-3H3
InChIKeyJWNKREMBCDNPLJ-UHFFFAOYSA-N
XLogP1.79
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.71
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-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-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 4201620
N'-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethylcarbamimidoyl chloride
CID 15783017
2-[6-Chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine
CID 15828716
4-(Butylamino)-6-chloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 1974076
4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile
CID 4093159
6-Chloro-2-methylsulfanyl-4-(1-piperidyl)pyrimidine-5-carbonitrile
CID 15654792
6-chloro-5-methyl-2-(methylthio)-4-Pyrimidinamine
CID 20343194
2-Amino-4-chloro-6-(methylamino)pyrimidine-5-carbonitrile
CID 129930588
4-(1-Methylhydrazino)-2-methylthio-6-chloropyrimidine-5-carbonitrile
CID 15273967
3-[6-Chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1,2-trimethylguanidine
CID 10493108
4-Amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile
CID 10655545
4-Chloro-6-(dimethylamino)pyrimidine-5-carbonitrile
CID 12278265

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile (CID 5221022) is 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile is CSc1nc(Cl)c(C#N)c(N(C)C)n1.
What is the InChIKey of 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is JWNKREMBCDNPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4S/c1-13(2)7-5(4-10)6(9)11-8(12-7)14-3/h1-3H3.
What are the key properties of 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile?
4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 228.71 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 5221022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).