5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one

C8H9N3O2 — CID 141348613

IUPAC5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one
SMILESCC1CN(c2ncccn2)C(=O)O1
InChIInChI=1S/C8H9N3O2/c1-6-5-11(8(12)13-6)7-9-3-2-4-10-7/h2-4,6H,5H2,1H3
InChIKeyQRDMGQOJUMWPPQ-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.82
Rot. Bonds1

About 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one

5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one (PubChem CID 141348613) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one
PubChem CID141348613
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one
SMILESCC1CN(c2ncccn2)C(=O)O1
InChIInChI=1S/C8H9N3O2/c1-6-5-11(8(12)13-6)7-9-3-2-4-10-7/h2-4,6H,5H2,1H3
InChIKeyQRDMGQOJUMWPPQ-UHFFFAOYSA-N
XLogP0.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Pyrrolidin-1-yl-ethoxy)-pyrimidine
CID 44325591
tert-Butyl (2-chloropyrimidin-4-yl)(methyl)carbamate
CID 21959597
tert-butyl N-(4-fluoropyrimidin-2-yl)-N-propylcarbamate
CID 121444062
2-Isopropoxypyrimidine
CID 22138853
Pyrimidine, 2-sec-butoxy-
CID 54362243
Pyri-midinyl dimethylcarbamate
CID 20163946
3-Pyrimidin-4-yl-oxazolidin-2-one
CID 117865357
N-(2,2-dimethoxyethyl)-N-methylpyrimidin-2-amine
CID 129842343
tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate
CID 135085840
oxan-4-yl (3S)-3-pyrimidin-2-yloxypyrrolidine-1-carboxylate
CID 129526087
ethyl (3S)-3-pyrimidin-2-yloxypyrrolidine-1-carboxylate
CID 129526133
(R)-3-(5-Fluoro-pyrimidin-2-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 66519798

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one (CID 141348613) is 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one is CC1CN(c2ncccn2)C(=O)O1.
What is the InChIKey of 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QRDMGQOJUMWPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-6-5-11(8(12)13-6)7-9-3-2-4-10-7/h2-4,6H,5H2,1H3.
What are the key properties of 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one?
5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one has a molecular weight of 179.18 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 141348613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).