5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine

C13H15ClN6OS — CID 53328223

IUPAC5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
SMILESCSc1c(Cl)nc(-c2cnc(N)nc2)nc1N1CCOCC1
InChIInChI=1S/C13H15ClN6OS/c1-22-9-10(14)18-11(8-6-16-13(15)17-7-8)19-12(9)20-2-4-21-5-3-20/h6-7H,2-5H2,1H3,(H2,15,16,17)
InChIKeyZFZQVPLBPVJBMV-UHFFFAOYSA-N
MW338.82 g/mol
LogP1.73
Rot. Bonds3

About 5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine

5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine (PubChem CID 53328223) has the molecular formula C13H15ClN6OS and a molecular weight of 338.82 g/mol. Its IUPAC name is 5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
PubChem CID53328223
Molecular FormulaC13H15ClN6OS
Molecular Weight338.82 g/mol
Exact Mass338.07
IUPAC Name5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
SMILESCSc1c(Cl)nc(-c2cnc(N)nc2)nc1N1CCOCC1
InChIInChI=1S/C13H15ClN6OS/c1-22-9-10(14)18-11(8-6-16-13(15)17-7-8)19-12(9)20-2-4-21-5-3-20/h6-7H,2-5H2,1H3,(H2,15,16,17)
InChIKeyZFZQVPLBPVJBMV-UHFFFAOYSA-N
XLogP1.73
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-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

Related Compounds

5-(4-Chloro-5-fluoro-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
CID 178031123
4-[1-(4-Chloro-5-methylsulfanylpyrimidin-2-yl)-4-methylpiperazin-2-yl]morpholine
CID 20393821
5-(5-Methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
CID 67297915
5-(5-Methyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
CID 71004442
4-[4-Butyl-1-(4-chloro-5-methylsulfanylpyrimidin-2-yl)piperazin-2-yl]morpholine
CID 85863649
4-(2-Chloro-5-(methylthio)pyrimidin-4-yl)morpholine
CID 86673505
2-(2-Aminopyrimidin-5-yl)-6-chloro-5-methylsulfanylpyrimidin-4-amine
CID 88918809
5-(4-Chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
CID 89181953
4-(2-Aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 124193930
4-[2-(4-Chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine
CID 144587213
4-(2-Aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane
CID 145231636
4-(4-Pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 150376604

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine (CID 53328223) is 5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine is CSc1c(Cl)nc(-c2cnc(N)nc2)nc1N1CCOCC1.
What is the InChIKey of 5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
The InChIKey is ZFZQVPLBPVJBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6OS/c1-22-9-10(14)18-11(8-6-16-13(15)17-7-8)19-12(9)20-2-4-21-5-3-20/h6-7H,2-5H2,1H3,(H2,15,16,17).
What are the key properties of 5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine?
5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine has a molecular weight of 338.82 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 53328223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).