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

C17H26N4O4S — CID 110099215

IUPAC3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OCC2C(C)C)nc(C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C17H26N4O4S/c1-11(2)14-10-25-17(22)21(14)15-9-12(3)18-16(19-15)13-5-7-20(8-6-13)26(4,23)24/h9,11,13-14H,5-8,10H2,1-4H3
InChIKeyHYZZQPIRYYAABB-UHFFFAOYSA-N
MW382.49 g/mol
LogP1.91
Rot. Bonds4

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

3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 110099215) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID110099215
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OCC2C(C)C)nc(C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C17H26N4O4S/c1-11(2)14-10-25-17(22)21(14)15-9-12(3)18-16(19-15)13-5-7-20(8-6-13)26(4,23)24/h9,11,13-14H,5-8,10H2,1-4H3
InChIKeyHYZZQPIRYYAABB-UHFFFAOYSA-N
XLogP1.91
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 110099215) is 3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1cc(N2C(=O)OCC2C(C)C)nc(C2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HYZZQPIRYYAABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-11(2)14-10-25-17(22)21(14)15-9-12(3)18-16(19-15)13-5-7-20(8-6-13)26(4,23)24/h9,11,13-14H,5-8,10H2,1-4H3.
What are the key properties of 3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 382.49 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 110099215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).