5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one

C14H20N4O2 — CID 110099244

IUPAC5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1CN(c2cc(CC3CCNCC3)ncn2)C(=O)O1
InChIInChI=1S/C14H20N4O2/c1-10-8-18(14(19)20-10)13-7-12(16-9-17-13)6-11-2-4-15-5-3-11/h7,9-11,15H,2-6,8H2,1H3
InChIKeyAYSXSQLLTUZVGD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.36
Rot. Bonds3

About 5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one

5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 110099244) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID110099244
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1CN(c2cc(CC3CCNCC3)ncn2)C(=O)O1
InChIInChI=1S/C14H20N4O2/c1-10-8-18(14(19)20-10)13-7-12(16-9-17-13)6-11-2-4-15-5-3-11/h7,9-11,15H,2-6,8H2,1H3
InChIKeyAYSXSQLLTUZVGD-UHFFFAOYSA-N
XLogP1.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 110099244) is 5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC1CN(c2cc(CC3CCNCC3)ncn2)C(=O)O1.
What is the InChIKey of 5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is AYSXSQLLTUZVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-8-18(14(19)20-10)13-7-12(16-9-17-13)6-11-2-4-15-5-3-11/h7,9-11,15H,2-6,8H2,1H3.
What are the key properties of 5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110099244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).