N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C10H13N3O5S — CID 110853041

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13N3O5S/c1-13(6-2-3-19(17,18)5-6)9(15)7-4-11-10(16)12-8(7)14/h4,6H,2-3,5H2,1H3,(H2,11,12,14,16)
InChIKeyWOEWXCAKIAWYIF-UHFFFAOYSA-N
MW287.30 g/mol
LogP-1.68
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 110853041) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID110853041
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13N3O5S/c1-13(6-2-3-19(17,18)5-6)9(15)7-4-11-10(16)12-8(7)14/h4,6H,2-3,5H2,1H3,(H2,11,12,14,16)
InChIKeyWOEWXCAKIAWYIF-UHFFFAOYSA-N
XLogP-1.68
TPSA120.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
CID 43602104
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 95975999
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(1,1-dioxothiolan-3-yl)-N,2,4,5-tetramethylbenzamide
CID 110763131
2-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259715
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-N-methylbenzamide
CID 16822492
N-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethoxy-N-methylbenzamide
CID 7259614
N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide
CID 43053942
N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 146124038
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7173985
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 110853041) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is CN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is WOEWXCAKIAWYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-13(6-2-3-19(17,18)5-6)9(15)7-4-11-10(16)12-8(7)14/h4,6H,2-3,5H2,1H3,(H2,11,12,14,16).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 287.30 g/mol, XLogP of -1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110853041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).