4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine

C10H14ClN3O3S — CID 121428426

IUPAC4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine
SMILESCS(=O)(=O)Cc1cc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C10H14ClN3O3S/c1-18(15,16)7-8-6-9(11)13-10(12-8)14-2-4-17-5-3-14/h6H,2-5,7H2,1H3
InChIKeyYBXJZAULKRLVAE-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.51
Rot. Bonds3

About 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine

4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine (PubChem CID 121428426) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine
PubChem CID121428426
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine
SMILESCS(=O)(=O)Cc1cc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C10H14ClN3O3S/c1-18(15,16)7-8-6-9(11)13-10(12-8)14-2-4-17-5-3-14/h6H,2-5,7H2,1H3
InChIKeyYBXJZAULKRLVAE-UHFFFAOYSA-N
XLogP0.51
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.51
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-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine (CID 121428426) is 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine is CS(=O)(=O)Cc1cc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine?
The InChIKey is YBXJZAULKRLVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-18(15,16)7-8-6-9(11)13-10(12-8)14-2-4-17-5-3-14/h6H,2-5,7H2,1H3.
What are the key properties of 4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine?
4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine has a molecular weight of 291.76 g/mol, XLogP of 0.51, 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-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 121428426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).