4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile

C6H5ClN4S — CID 4093159

IUPAC4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(N)c(C#N)c(Cl)n1
InChIInChI=1S/C6H5ClN4S/c1-12-6-10-4(7)3(2-8)5(9)11-6/h1H3,(H2,9,10,11)
InChIKeySQSIKNPJLPNKJL-UHFFFAOYSA-N
MW200.65 g/mol
LogP1.31
Rot. Bonds1

About 4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile

4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 4093159) has the molecular formula C6H5ClN4S and a molecular weight of 200.65 g/mol. Its IUPAC name is 4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID4093159
Molecular FormulaC6H5ClN4S
Molecular Weight200.65 g/mol
Exact Mass199.99
IUPAC Name4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(N)c(C#N)c(Cl)n1
InChIInChI=1S/C6H5ClN4S/c1-12-6-10-4(7)3(2-8)5(9)11-6/h1H3,(H2,9,10,11)
InChIKeySQSIKNPJLPNKJL-UHFFFAOYSA-N
XLogP1.31
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.65
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-6-chloro-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile (CID 4093159) is 4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile is CSc1nc(N)c(C#N)c(Cl)n1.
What is the InChIKey of 4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is SQSIKNPJLPNKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4S/c1-12-6-10-4(7)3(2-8)5(9)11-6/h1H3,(H2,9,10,11).
What are the key properties of 4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile?
4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 200.65 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 4093159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).