(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine

C17H21N3O3S — CID 125009252

IUPAC(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)cc1
InChIInChI=1S/C17H21N3O3S/c1-12-4-6-15(7-5-12)24(21,22)20-8-9-23-17(11-20)16-10-13(2)18-14(3)19-16/h4-7,10,17H,8-9,11H2,1-3H3/t17-/m1/s1
InChIKeyVAZJNDSWAYJTCG-QGZVFWFLSA-N
MW347.44 g/mol
LogP2.16
Rot. Bonds3

About (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine

(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine (PubChem CID 125009252) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine
PubChem CID125009252
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)cc1
InChIInChI=1S/C17H21N3O3S/c1-12-4-6-15(7-5-12)24(21,22)20-8-9-23-17(11-20)16-10-13(2)18-14(3)19-16/h4-7,10,17H,8-9,11H2,1-3H3/t17-/m1/s1
InChIKeyVAZJNDSWAYJTCG-QGZVFWFLSA-N
XLogP2.16
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 124999153
4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137166559
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
2-(2,6-dimethylpyrimidin-4-yl)-N,N-dimethylmorpholine-4-sulfonamide
CID 110115941
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570
2-methyl-6-[(2R)-4-pyridin-3-ylsulfonylmorpholin-2-yl]pyrimidin-4-amine
CID 95847668
N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 124974810
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 44576423
4,6-dimethyl-2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]pyrimidine
CID 175652484
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine
CID 124986591
N-[4-[2-(4-methylphenyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 110326603
2-(2,6-dimethylpyrimidin-4-yl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 110115953

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine?
The IUPAC name of (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine (CID 125009252) is (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine?
The canonical SMILES for (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine is Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cc(C)nc(C)n3)C2)cc1.
What is the InChIKey of (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine?
The InChIKey is VAZJNDSWAYJTCG-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-4-6-15(7-5-12)24(21,22)20-8-9-23-17(11-20)16-10-13(2)18-14(3)19-16/h4-7,10,17H,8-9,11H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine?
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine has a molecular weight of 347.44 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 125009252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).