3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

C25H25N3O4S — CID 5059489

IUPAC3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(Cc3cccc(C)c3)c2=O)c1
InChIInChI=1S/C25H25N3O4S/c1-15-8-6-9-17(12-15)14-27-24-20(16(2)21(33-24)23(30)26(3)4)22(29)28(25(27)31)18-10-7-11-19(13-18)32-5/h6-13H,14H2,1-5H3
InChIKeyXBNKYKQFEJSELA-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.59
Rot. Bonds5

About 3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 5059489) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID5059489
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(Cc3cccc(C)c3)c2=O)c1
InChIInChI=1S/C25H25N3O4S/c1-15-8-6-9-17(12-15)14-27-24-20(16(2)21(33-24)23(30)26(3)4)22(29)28(25(27)31)18-10-7-11-19(13-18)32-5/h6-13H,14H2,1-5H3
InChIKeyXBNKYKQFEJSELA-UHFFFAOYSA-N
XLogP3.59
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (CID 5059489) is 3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is COc1cccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(Cc3cccc(C)c3)c2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XBNKYKQFEJSELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-15-8-6-9-17(12-15)14-27-24-20(16(2)21(33-24)23(30)26(3)4)22(29)28(25(27)31)18-10-7-11-19(13-18)32-5/h6-13H,14H2,1-5H3.
What are the key properties of 3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N,N,5-trimethyl-1-[(3-methylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 5059489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).