4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine

C10H13ClFN3O3S — CID 121428588

IUPAC4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine
SMILESCS(=O)(=O)C(F)c1cc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C10H13ClFN3O3S/c1-19(16,17)9(12)7-6-8(11)14-10(13-7)15-2-4-18-5-3-15/h6,9H,2-5H2,1H3
InChIKeyIUOCTYFDDMIUJQ-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.98
Rot. Bonds3

About 4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine

4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine (PubChem CID 121428588) has the molecular formula C10H13ClFN3O3S and a molecular weight of 309.75 g/mol. Its IUPAC name is 4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine
PubChem CID121428588
Molecular FormulaC10H13ClFN3O3S
Molecular Weight309.75 g/mol
Exact Mass309.04
IUPAC Name4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine
SMILESCS(=O)(=O)C(F)c1cc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C10H13ClFN3O3S/c1-19(16,17)9(12)7-6-8(11)14-10(13-7)15-2-4-18-5-3-15/h6,9H,2-5H2,1H3
InChIKeyIUOCTYFDDMIUJQ-UHFFFAOYSA-N
XLogP0.98
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine (CID 121428588) is 4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine is CS(=O)(=O)C(F)c1cc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine?
The InChIKey is IUOCTYFDDMIUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O3S/c1-19(16,17)9(12)7-6-8(11)14-10(13-7)15-2-4-18-5-3-15/h6,9H,2-5H2,1H3.
What are the key properties of 4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine?
4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine has a molecular weight of 309.75 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 121428588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).