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

C11H16ClN3O2S — CID 86660212

IUPAC(3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(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-/m1/s1
InChIKeyDXOHBFLOMTVYNW-NTCNTBNZSA-N
MW289.79 g/mol
LogP1.23
Rot. Bonds3

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

(3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 86660212) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is (3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID86660212
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name(3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(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-/m1/s1
InChIKeyDXOHBFLOMTVYNW-NTCNTBNZSA-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

Analyze (3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine with MolForge

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Related Compounds

4-(2-Isopropyl-6-methyl-4-pyrimidinyl)morpholine
CID 3306908
4,4'-(6-Methylpyrimidine-2,4-diyl)dimorpholine
CID 239982
Methyl 2-{[4-methyl-6-(morpholin-4-YL)pyrimidin-2-YL]sulfanyl}acetate
CID 2147954
4-{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}morpholine hydrochloride
CID 2843233
Acetic acid, ((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-
CID 723195
Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-
CID 3074005
N-((4-methyl-6-morpholinopyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807469
4-(6-Methyl-2-propylpyrimidin-4-yl)morpholine
CID 6461489
4-[2-Methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 134202136
N-[[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methyl-methyl-oxo-lambda6-sulfanylidene]-2,2,2-trifluoroacetamide
CID 138966363
4-[6-Methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine
CID 3157868
(R)-4-(2-chloro-6-(iodomethyl)pyrimidin-4-yl)-3-methylmorpholine
CID 71584551

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine (CID 86660212) is (3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(C[S@@](C)=O)nc(Cl)n1.
What is the InChIKey of (3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is DXOHBFLOMTVYNW-NTCNTBNZSA-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-/m1/s1.
What are the key properties of (3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[2-chloro-6-[[(R)-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 (3R)-4-[2-chloro-6-[[(R)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 86660212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).