2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C14H21N3O4S — CID 136890060

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cc1c(C)nc(C)[nH]c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H21N3O4S/c1-4-17(11-5-6-22(20,21)8-11)13(18)7-12-9(2)15-10(3)16-14(12)19/h11H,4-8H2,1-3H3,(H,15,16,19)
InChIKeyBYMFUNKMMIJCNS-UHFFFAOYSA-N
MW327.41 g/mol
LogP-0.04
Rot. Bonds4

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 136890060) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID136890060
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cc1c(C)nc(C)[nH]c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H21N3O4S/c1-4-17(11-5-6-22(20,21)8-11)13(18)7-12-9(2)15-10(3)16-14(12)19/h11H,4-8H2,1-3H3,(H,15,16,19)
InChIKeyBYMFUNKMMIJCNS-UHFFFAOYSA-N
XLogP-0.04
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide with MolForge

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Related Compounds

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 134012566
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CID 110702454
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 110700040
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110413204
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772120
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690842
N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136908392
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685697
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701040
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanamide;formic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 136890060) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)Cc1c(C)nc(C)[nH]c1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is BYMFUNKMMIJCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-4-17(11-5-6-22(20,21)8-11)13(18)7-12-9(2)15-10(3)16-14(12)19/h11H,4-8H2,1-3H3,(H,15,16,19).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 327.41 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 136890060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).