4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one

C16H24N4O4S — CID 110099178

IUPAC4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1nc(C2CCN(S(C)(=O)=O)CC2)cc(N2C(=O)OCC2(C)C)n1
InChIInChI=1S/C16H24N4O4S/c1-11-17-13(12-5-7-19(8-6-12)25(4,22)23)9-14(18-11)20-15(21)24-10-16(20,2)3/h9,12H,5-8,10H2,1-4H3
InChIKeyRIDFYNQTZVDMME-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.66
Rot. Bonds3

About 4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one

4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 110099178) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID110099178
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1nc(C2CCN(S(C)(=O)=O)CC2)cc(N2C(=O)OCC2(C)C)n1
InChIInChI=1S/C16H24N4O4S/c1-11-17-13(12-5-7-19(8-6-12)25(4,22)23)9-14(18-11)20-15(21)24-10-16(20,2)3/h9,12H,5-8,10H2,1-4H3
InChIKeyRIDFYNQTZVDMME-UHFFFAOYSA-N
XLogP1.66
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 110099097
4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine
CID 175662618
4-(2-ethylpyrazol-3-yl)-2-methyl-6-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidine
CID 125012149
2-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]benzoic acid
CID 155900548
3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110098932
2-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124957097
4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95820903
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine
CID 124986591
3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110099221
5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride
CID 171687283
2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
CID 175652292
3-[2-methyl-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]benzoic acid
CID 125014260

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 110099178) is 4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one is Cc1nc(C2CCN(S(C)(=O)=O)CC2)cc(N2C(=O)OCC2(C)C)n1.
What is the InChIKey of 4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is RIDFYNQTZVDMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-11-17-13(12-5-7-19(8-6-12)25(4,22)23)9-14(18-11)20-15(21)24-10-16(20,2)3/h9,12H,5-8,10H2,1-4H3.
What are the key properties of 4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 368.46 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[2-methyl-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110099178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).