N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

C17H17N3O3S — CID 53083095

IUPACN-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)c1
InChIInChI=1S/C17H17N3O3S/c1-9-5-10(2)7-11(6-9)18-14(21)13-8-12-15(22)19(3)17(23)20(4)16(12)24-13/h5-8H,1-4H3,(H,18,21)
InChIKeyMDLWBAVSLYWSTH-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.17
Rot. Bonds2

About N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53083095) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID53083095
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)c1
InChIInChI=1S/C17H17N3O3S/c1-9-5-10(2)7-11(6-9)18-14(21)13-8-12-15(22)19(3)17(23)20(4)16(12)24-13/h5-8H,1-4H3,(H,18,21)
InChIKeyMDLWBAVSLYWSTH-UHFFFAOYSA-N
XLogP2.17
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
N-[(2R)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 42589960
N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 42590015
1,3-dimethyl-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53083092
1,3-dimethyl-N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 100891499
6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 53083079
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7960954
4,5-dibromo-N-(3-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 80536601
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 44616069
N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide
CID 53083028
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53083114
N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731697

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (CID 53083095) is N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1cc(C)cc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MDLWBAVSLYWSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-9-5-10(2)7-11(6-9)18-14(21)13-8-12-15(22)19(3)17(23)20(4)16(12)24-13/h5-8H,1-4H3,(H,18,21).
What are the key properties of N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53083095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).