5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine

C11H18ClN5S — CID 106327571

IUPAC5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCCN2CCSCC2)n1
InChIInChI=1S/C11H18ClN5S/c1-13-11-15-8-9(12)10(16-11)14-2-3-17-4-6-18-7-5-17/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyAIGQRVKWTSYYCO-UHFFFAOYSA-N
MW287.82 g/mol
LogP1.63
Rot. Bonds5

About 5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine

5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 106327571) has the molecular formula C11H18ClN5S and a molecular weight of 287.82 g/mol. Its IUPAC name is 5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID106327571
Molecular FormulaC11H18ClN5S
Molecular Weight287.82 g/mol
Exact Mass287.10
IUPAC Name5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCCN2CCSCC2)n1
InChIInChI=1S/C11H18ClN5S/c1-13-11-15-8-9(12)10(16-11)14-2-3-17-4-6-18-7-5-17/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyAIGQRVKWTSYYCO-UHFFFAOYSA-N
XLogP1.63
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Chloro-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 86277751
5-Methyl-4-{4-[2-(methylthio)ethyl]piperazin-1-yl}pyrimidin-2-amine
CID 72857715
N,N'-bis(5-chloropyrimidin-4-yl)propane-1,3-diamine
CID 86804849
5-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrimidin-4-amine
CID 135114129
5-Chloro-2-(piperazin-1-YL)pyrimidine
CID 15684303
4-(5-Fluoro-2-piperazin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 54549819
2-Chloro-5-fluoro-4-(4-methylpiperazin-4-ium-1-yl)pyrimidine
CID 1714309
4-(2-Chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine
CID 79075799
5-Fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80764069
5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80764346
5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80764347
N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80764441

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 106327571) is 5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine is CNc1ncc(Cl)c(NCCN2CCSCC2)n1.
What is the InChIKey of 5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is AIGQRVKWTSYYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5S/c1-13-11-15-8-9(12)10(16-11)14-2-3-17-4-6-18-7-5-17/h8H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine?
5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 287.82 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106327571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).