5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine

C13H11ClN4S — CID 171661368

IUPAC5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine
SMILESCSn1ccc2c(-c3nc(N)ncc3Cl)cccc21
InChIInChI=1S/C13H11ClN4S/c1-19-18-6-5-8-9(3-2-4-11(8)18)12-10(14)7-16-13(15)17-12/h2-7H,1H3,(H2,15,16,17)
InChIKeyAXJBOXVILIGMIM-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.46
Rot. Bonds2

About 5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine

5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine (PubChem CID 171661368) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine
PubChem CID171661368
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine
SMILESCSn1ccc2c(-c3nc(N)ncc3Cl)cccc21
InChIInChI=1S/C13H11ClN4S/c1-19-18-6-5-8-9(3-2-4-11(8)18)12-10(14)7-16-13(15)17-12/h2-7H,1H3,(H2,15,16,17)
InChIKeyAXJBOXVILIGMIM-UHFFFAOYSA-N
XLogP3.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine 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 5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine (CID 171661368) is 5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine is CSn1ccc2c(-c3nc(N)ncc3Cl)cccc21.
What is the InChIKey of 5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine?
The InChIKey is AXJBOXVILIGMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c1-19-18-6-5-8-9(3-2-4-11(8)18)12-10(14)7-16-13(15)17-12/h2-7H,1H3,(H2,15,16,17).
What are the key properties of 5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine?
5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine has a molecular weight of 290.78 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-methylsulfanylindol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 171661368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).