4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one

C16H19N3O4S — CID 137166559

IUPAC4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2CCO[C@H](c3nc(C)cc(=O)[nH]3)C2)cc1
InChIInChI=1S/C16H19N3O4S/c1-11-3-5-13(6-4-11)24(21,22)19-7-8-23-14(10-19)16-17-12(2)9-15(20)18-16/h3-6,9,14H,7-8,10H2,1-2H3,(H,17,18,20)/t14-/m0/s1
InChIKeyKDCOSIBSDRKSRP-AWEZNQCLSA-N
MW349.41 g/mol
LogP1.15
Rot. Bonds3

About 4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one

4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137166559) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137166559
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2CCO[C@H](c3nc(C)cc(=O)[nH]3)C2)cc1
InChIInChI=1S/C16H19N3O4S/c1-11-3-5-13(6-4-11)24(21,22)19-7-8-23-14(10-19)16-17-12(2)9-15(20)18-16/h3-6,9,14H,7-8,10H2,1-2H3,(H,17,18,20)/t14-/m0/s1
InChIKeyKDCOSIBSDRKSRP-AWEZNQCLSA-N
XLogP1.15
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
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-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137140127
N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide
CID 136844285
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 125009252
2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137052887
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570
4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137168467
2-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145647
2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid
CID 137037818
N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 124974810
2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136844394

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one (CID 137166559) is 4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one is Cc1ccc(S(=O)(=O)N2CCO[C@H](c3nc(C)cc(=O)[nH]3)C2)cc1.
What is the InChIKey of 4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is KDCOSIBSDRKSRP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11-3-5-13(6-4-11)24(21,22)19-7-8-23-14(10-19)16-17-12(2)9-15(20)18-16/h3-6,9,14H,7-8,10H2,1-2H3,(H,17,18,20)/t14-/m0/s1.
What are the key properties of 4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 349.41 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137166559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).