N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide

C11H12N4O3 — CID 172994839

IUPACN-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1\OC(=O)CN1c1nc(C)cc(C)n1
InChIInChI=1S/C11H12N4O3/c1-6-4-7(2)13-10(12-6)15-5-9(17)18-11(15)14-8(3)16/h4H,5H2,1-3H3/b14-11-
InChIKeyKYNUXGKTWXKODX-KAMYIIQDSA-N
MW248.24 g/mol
LogP0.36
Rot. Bonds1

About N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide

N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide (PubChem CID 172994839) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide
PubChem CID172994839
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1\OC(=O)CN1c1nc(C)cc(C)n1
InChIInChI=1S/C11H12N4O3/c1-6-4-7(2)13-10(12-6)15-5-9(17)18-11(15)14-8(3)16/h4H,5H2,1-3H3/b14-11-
InChIKeyKYNUXGKTWXKODX-KAMYIIQDSA-N
XLogP0.36
TPSA84.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-propionic acid methyl ester
CID 2862961
[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-acetic acid ethyl ester
CID 1827932
[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-acetic acid methyl ester
CID 694914
Diethyl [cyano(4,6-dimethylpyrimidin-2-yl)amino]propanedioate
CID 2215050
1-(4,6-Dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one
CID 742816
Methyl 4,6-dimethylpyrimidine-2-carboxylate
CID 12276698
N-(4,6-dimethylpyrimidin-2-yl)-N-methylglycine
CID 312675
Glycine, N-(4,6-dimethyl-2-pyrimidinyl)-
CID 312674
Ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate
CID 168719757
3-(4,6-Dimethylpyrimidin-2-yl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
CID 684772
1-(4,6-Dimethylpyrimidin-2-yl)-2-iminoimidazolidin-4-one
CID 945041
tert-butyl N-[(3S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 97592835

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide (CID 172994839) is N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide is CC(=O)/N=C1\OC(=O)CN1c1nc(C)cc(C)n1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide?
The InChIKey is KYNUXGKTWXKODX-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-6-4-7(2)13-10(12-6)15-5-9(17)18-11(15)14-8(3)16/h4H,5H2,1-3H3/b14-11-.
What are the key properties of N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide?
N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide has a molecular weight of 248.24 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide is sourced from PubChem (CID 172994839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).