N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide

C23H22N4O3S — CID 3586131

IUPACN-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3ncnc(N(C)c4ccccc4)c3c2C)cc1OC
InChIInChI=1S/C23H22N4O3S/c1-14-19-21(27(2)16-8-6-5-7-9-16)24-13-25-23(19)31-20(14)22(28)26-15-10-11-17(29-3)18(12-15)30-4/h5-13H,1-4H3,(H,26,28)
InChIKeyJYHVEECKISBUOP-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.04
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide

N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 3586131) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID3586131
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3ncnc(N(C)c4ccccc4)c3c2C)cc1OC
InChIInChI=1S/C23H22N4O3S/c1-14-19-21(27(2)16-8-6-5-7-9-16)24-13-25-23(19)31-20(14)22(28)26-15-10-11-17(29-3)18(12-15)30-4/h5-13H,1-4H3,(H,26,28)
InChIKeyJYHVEECKISBUOP-UHFFFAOYSA-N
XLogP5.04
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-fluoro-2-methylphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 20969343
4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4060266
4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854879
N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162326
3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 40862663
4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4054118
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55844285
2-methoxyethyl 4-(3,4-dimethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21012054
N-(4-chlorophenyl)-4-[cyclohexyl(methyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363786
N-(3,4-dimethoxyphenyl)-5-methyl-4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 3256201
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 118940972

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 3586131) is N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide is COc1ccc(NC(=O)c2sc3ncnc(N(C)c4ccccc4)c3c2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JYHVEECKISBUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14-19-21(27(2)16-8-6-5-7-9-16)24-13-25-23(19)31-20(14)22(28)26-15-10-11-17(29-3)18(12-15)30-4/h5-13H,1-4H3,(H,26,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-methyl-4-(N-methylanilino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 3586131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).