4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide

C18H21N3O4S — CID 110332592

IUPAC4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)C3CCS(=O)(=O)C3)[nH]c(=O)n2)c(C)c1
InChIInChI=1S/C18H21N3O4S/c1-11-4-5-14(12(2)8-11)15-9-16(20-18(23)19-15)17(22)21(3)13-6-7-26(24,25)10-13/h4-5,8-9,13H,6-7,10H2,1-3H3,(H,19,20,23)
InChIKeyIQOYFGVYZOYVKJ-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.31
Rot. Bonds3

About 4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide

4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 110332592) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide
PubChem CID110332592
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)C3CCS(=O)(=O)C3)[nH]c(=O)n2)c(C)c1
InChIInChI=1S/C18H21N3O4S/c1-11-4-5-14(12(2)8-11)15-9-16(20-18(23)19-15)17(22)21(3)13-6-7-26(24,25)10-13/h4-5,8-9,13H,6-7,10H2,1-3H3,(H,19,20,23)
InChIKeyIQOYFGVYZOYVKJ-UHFFFAOYSA-N
XLogP1.31
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 42941910
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CID 7430109
N-(1,1-dioxothiolan-3-yl)-N,6-dimethyl-1,2,4-benzotriazine-3-carboxamide
CID 56730207
7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide
CID 110852912
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
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide
CID 110852900
N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide
CID 6599870
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198221
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 41075358
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide (CID 110332592) is 4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)C3CCS(=O)(=O)C3)[nH]c(=O)n2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide?
The InChIKey is IQOYFGVYZOYVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-11-4-5-14(12(2)8-11)15-9-16(20-18(23)19-15)17(22)21(3)13-6-7-26(24,25)10-13/h4-5,8-9,13H,6-7,10H2,1-3H3,(H,19,20,23).
What are the key properties of 4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide?
4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110332592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).