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

C16H14BrN3OS — CID 56501540

IUPACN-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)Nc3ccccc3Br)sc2n1
InChIInChI=1S/C16H14BrN3OS/c1-8-13-9(2)18-10(3)19-16(13)22-14(8)15(21)20-12-7-5-4-6-11(12)17/h4-7H,1-3H3,(H,20,21)
InChIKeyJSMIXHFWMPSWAA-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.63
Rot. Bonds2

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

N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56501540) has the molecular formula C16H14BrN3OS and a molecular weight of 376.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID56501540
Molecular FormulaC16H14BrN3OS
Molecular Weight376.28 g/mol
Exact Mass375.00
IUPAC NameN-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)Nc3ccccc3Br)sc2n1
InChIInChI=1S/C16H14BrN3OS/c1-8-13-9(2)18-10(3)19-16(13)22-14(8)15(21)20-12-7-5-4-6-11(12)17/h4-7H,1-3H3,(H,20,21)
InChIKeyJSMIXHFWMPSWAA-UHFFFAOYSA-N
XLogP4.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56500888
N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110862839
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56508477
2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56502211
2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24675463
2-tert-butyl-N-(2-ethylsulfonylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51113887
2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33284197
N-[[2-(methoxymethyl)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32606435
N-(2-benzylsulfanylethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43044020
N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30345026
2-tert-butyl-N-(2-carbamoyl-3-methylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56796164

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 56501540) is N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)Nc3ccccc3Br)sc2n1.
What is the InChIKey of N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JSMIXHFWMPSWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3OS/c1-8-13-9(2)18-10(3)19-16(13)22-14(8)15(21)20-12-7-5-4-6-11(12)17/h4-7H,1-3H3,(H,20,21).
What are the key properties of N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 376.28 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56501540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).