N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

C18H18BrN3O2S — CID 56502211

IUPACN-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1sc2nc(C)nc(C)c2c1C
InChIInChI=1S/C18H18BrN3O2S/c1-8-6-12(19)7-13(24-5)15(8)22-17(23)16-9(2)14-10(3)20-11(4)21-18(14)25-16/h6-7H,1-5H3,(H,22,23)
InChIKeyJQMMFGYGMFPOET-UHFFFAOYSA-N
MW420.33 g/mol
LogP4.95
Rot. Bonds3

About N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56502211) has the molecular formula C18H18BrN3O2S and a molecular weight of 420.33 g/mol. Its IUPAC name is N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID56502211
Molecular FormulaC18H18BrN3O2S
Molecular Weight420.33 g/mol
Exact Mass419.03
IUPAC NameN-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1sc2nc(C)nc(C)c2c1C
InChIInChI=1S/C18H18BrN3O2S/c1-8-6-12(19)7-13(24-5)15(8)22-17(23)16-9(2)14-10(3)20-11(4)21-18(14)25-16/h6-7H,1-5H3,(H,22,23)
InChIKeyJQMMFGYGMFPOET-UHFFFAOYSA-N
XLogP4.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55844285
N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56501540
2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46564228
2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24675463
4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
CID 80536467
5-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)pyridine-2-carboxamide
CID 62954905
2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
4-(diethylamino)-N-(3,4-dimethoxyphenyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4060266
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46551243
N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide
CID 167908208
N-(4-bromo-2-methoxy-6-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81227978
N-(4-bromo-2-methoxy-6-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 60811575

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 56502211) is N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is COc1cc(Br)cc(C)c1NC(=O)c1sc2nc(C)nc(C)c2c1C.
What is the InChIKey of N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JQMMFGYGMFPOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2S/c1-8-6-12(19)7-13(24-5)15(8)22-17(23)16-9(2)14-10(3)20-11(4)21-18(14)25-16/h6-7H,1-5H3,(H,22,23).
What are the key properties of N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 420.33 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56502211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).