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

C9H9ClN4S — CID 21285547

IUPAC4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(NC2CC2)nc(Cl)c1C#N
InChIInChI=1S/C9H9ClN4S/c1-15-8-6(4-11)7(10)13-9(14-8)12-5-2-3-5/h5H,2-3H2,1H3,(H,12,13,14)
InChIKeyUVGMQLCCIICYNU-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.30
Rot. Bonds3

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

4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 21285547) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID21285547
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(NC2CC2)nc(Cl)c1C#N
InChIInChI=1S/C9H9ClN4S/c1-15-8-6(4-11)7(10)13-9(14-8)12-5-2-3-5/h5H,2-3H2,1H3,(H,12,13,14)
InChIKeyUVGMQLCCIICYNU-UHFFFAOYSA-N
XLogP2.30
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(cyclopropylamino)-6-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-Chloro-2-ethylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile
CID 507188
4-(Butylamino)-6-chloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 1974076
2-Amino-4-chloro-6-methylsulfanyl-pyrimidine-5-carbonitrile
CID 18507260
4-Amino-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile
CID 21285549
2-[6-Chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-ylthio]acetamide
CID 86617304
4-(Cyclopropylamino)-2-ethylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 123998375
4-Amino-2-(cyclopropylamino)-6-methylsulfonylpyrimidine-5-carbonitrile
CID 141278946
4-Chloro-2-(methylsulfanyl)-6-(propan-2-ylamino)pyrimidine-5-carbonitrile
CID 911776
4-Chloro-2-methylsulfanyl-6-(propylamino)pyrimidine-5-carbonitrile
CID 3388129
4-Chloro-6-(cyclopropylamino)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 3539115
2,4-Bis(butylamino)-6-methylsulfanylpyrimidine-5-carbonitrile
CID 10979260
4-(Butylamino)-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
CID 11108370

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile (CID 21285547) is 4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile is CSc1nc(NC2CC2)nc(Cl)c1C#N.
What is the InChIKey of 4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is UVGMQLCCIICYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-15-8-6(4-11)7(10)13-9(14-8)12-5-2-3-5/h5H,2-3H2,1H3,(H,12,13,14).
What are the key properties of 4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile?
4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 240.72 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 21285547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).