4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine

C9H12ClN3O3S — CID 87167335

IUPAC4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine
SMILESCc1ncc(S(=O)(=O)N2CCOCC2)c(Cl)n1
InChIInChI=1S/C9H12ClN3O3S/c1-7-11-6-8(9(10)12-7)17(14,15)13-2-4-16-5-3-13/h6H,2-5H2,1H3
InChIKeyWEIPGZMPOCZBCJ-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.46
Rot. Bonds2

About 4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine

4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine (PubChem CID 87167335) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine
PubChem CID87167335
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine
SMILESCc1ncc(S(=O)(=O)N2CCOCC2)c(Cl)n1
InChIInChI=1S/C9H12ClN3O3S/c1-7-11-6-8(9(10)12-7)17(14,15)13-2-4-16-5-3-13/h6H,2-5H2,1H3
InChIKeyWEIPGZMPOCZBCJ-UHFFFAOYSA-N
XLogP0.46
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine?
The IUPAC name of 4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine (CID 87167335) is 4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine?
The canonical SMILES for 4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine is Cc1ncc(S(=O)(=O)N2CCOCC2)c(Cl)n1.
What is the InChIKey of 4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine?
The InChIKey is WEIPGZMPOCZBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c1-7-11-6-8(9(10)12-7)17(14,15)13-2-4-16-5-3-13/h6H,2-5H2,1H3.
What are the key properties of 4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine?
4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine has a molecular weight of 277.73 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylpyrimidin-5-yl)sulfonylmorpholine is sourced from PubChem (CID 87167335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).