4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine

C11H16ClN3O2S — CID 88545272

IUPAC4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine
SMILESCC1COCCN1c1cc(C[S@](C)=O)nc(Cl)n1
InChIInChI=1S/C11H16ClN3O2S/c1-8-6-17-4-3-15(8)10-5-9(7-18(2)16)13-11(12)14-10/h5,8H,3-4,6-7H2,1-2H3/t8?,18-/m0/s1
InChIKeyDXOHBFLOMTVYNW-NSYSEPGLSA-N
MW289.79 g/mol
LogP1.23
Rot. Bonds3

About 4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine

4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 88545272) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID88545272
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine
SMILESCC1COCCN1c1cc(C[S@](C)=O)nc(Cl)n1
InChIInChI=1S/C11H16ClN3O2S/c1-8-6-17-4-3-15(8)10-5-9(7-18(2)16)13-11(12)14-10/h5,8H,3-4,6-7H2,1-2H3/t8?,18-/m0/s1
InChIKeyDXOHBFLOMTVYNW-NSYSEPGLSA-N
XLogP1.23
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of 4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine (CID 88545272) is 4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for 4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine is CC1COCCN1c1cc(C[S@](C)=O)nc(Cl)n1.
What is the InChIKey of 4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is DXOHBFLOMTVYNW-NSYSEPGLSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-8-6-17-4-3-15(8)10-5-9(7-18(2)16)13-11(12)14-10/h5,8H,3-4,6-7H2,1-2H3/t8?,18-/m0/s1.
What are the key properties of 4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine?
4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 289.79 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 88545272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).