4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine

C12H18ClN3OS — CID 144587213

IUPAC4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine
SMILESCCc1ncc(SCCN2CCOCC2)c(Cl)n1
InChIInChI=1S/C12H18ClN3OS/c1-2-11-14-9-10(12(13)15-11)18-8-5-16-3-6-17-7-4-16/h9H,2-8H2,1H3
InChIKeyCICKUZJWCGVPQC-UHFFFAOYSA-N
MW287.82 g/mol
LogP2.12
Rot. Bonds5

About 4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine

4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine (PubChem CID 144587213) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine
PubChem CID144587213
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine
SMILESCCc1ncc(SCCN2CCOCC2)c(Cl)n1
InChIInChI=1S/C12H18ClN3OS/c1-2-11-14-9-10(12(13)15-11)18-8-5-16-3-6-17-7-4-16/h9H,2-8H2,1H3
InChIKeyCICKUZJWCGVPQC-UHFFFAOYSA-N
XLogP2.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Isopropylsulfonyl)-2-morpholinopyrimidin-4-amine
CID 2819754
4-[1-(4-Chloro-5-methylsulfanylpyrimidin-2-yl)-4-methylpiperazin-2-yl]morpholine
CID 20393821
1-(4-chloro-5-methylsulfanylpyrimidin-2-yl)-N-(3-methoxypropyl)-4-methylpiperazin-2-amine
CID 20393837
5-(4-Chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
CID 53328223
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
4-(4-Chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine
CID 87167335
2,4-Dichloro-5-(2-methoxyethylsulfanyl)pyrimidine
CID 141528353
4-[2-(2,4-Dichloropyrimidin-5-yl)sulfanylethyl]morpholine
CID 141528357
4-(6-Chloro-5-methylsulfanylpyrimidin-4-yl)morpholine
CID 153933093
4-(5-Methylsulfanylpyrimidin-4-yl)morpholine
CID 153935125
4-(5-(Methylthio)pyrimidin-2-yl)morpholine
CID 163846738

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine?
The IUPAC name of 4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine (CID 144587213) is 4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine.
What is the SMILES notation for 4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine?
The canonical SMILES for 4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine is CCc1ncc(SCCN2CCOCC2)c(Cl)n1.
What is the InChIKey of 4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine?
The InChIKey is CICKUZJWCGVPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-2-11-14-9-10(12(13)15-11)18-8-5-16-3-6-17-7-4-16/h9H,2-8H2,1H3.
What are the key properties of 4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine?
4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine has a molecular weight of 287.82 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-2-ethylpyrimidin-5-yl)sulfanylethyl]morpholine is sourced from PubChem (CID 144587213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).