2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one

C14H16N4O4S — CID 136844394

IUPAC2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCc1nc(C2CN(S(=O)(=O)c3cccnc3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O4S/c1-10-16-12(7-14(19)17-10)13-9-18(5-6-22-13)23(20,21)11-3-2-4-15-8-11/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17,19)
InChIKeyWCEBQHVIAKQNAW-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.24
Rot. Bonds3

About 2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one

2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 136844394) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID136844394
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCc1nc(C2CN(S(=O)(=O)c3cccnc3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O4S/c1-10-16-12(7-14(19)17-10)13-9-18(5-6-22-13)23(20,21)11-3-2-4-15-8-11/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17,19)
InChIKeyWCEBQHVIAKQNAW-UHFFFAOYSA-N
XLogP0.24
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-[(2R)-4-pyridin-3-ylsulfonylmorpholin-2-yl]pyrimidin-4-amine
CID 95847668
2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine
CID 110115437
2-methyl-4-[(2S)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137169708
2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137169709
(2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 95366963
4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137166559
4-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137090573
(2R)-4-(3-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 124978418
4-(3-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 127246297
4-[4-(2-hydroxyethyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844416
(2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 92568402
4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 110224506

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 136844394) is 2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one is Cc1nc(C2CN(S(=O)(=O)c3cccnc3)CCO2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is WCEBQHVIAKQNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-10-16-12(7-14(19)17-10)13-9-18(5-6-22-13)23(20,21)11-3-2-4-15-8-11/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17,19).
What are the key properties of 2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one?
2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 336.37 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-pyridin-3-ylsulfonylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136844394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).