methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate

C20H23N3O3S2 — CID 56501285

IUPACmethyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1NC(=O)c1sc2nc(C)nc(C)c2c1C
InChIInChI=1S/C20H23N3O3S2/c1-9(2)7-13-8-27-18(15(13)20(25)26-6)23-17(24)16-10(3)14-11(4)21-12(5)22-19(14)28-16/h8-9H,7H2,1-6H3,(H,23,24)
InChIKeyHNHHQEZXVZLIFE-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.92
Rot. Bonds5

About methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate

methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 56501285) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
PubChem CID56501285
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Namemethyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1NC(=O)c1sc2nc(C)nc(C)c2c1C
InChIInChI=1S/C20H23N3O3S2/c1-9(2)7-13-8-27-18(15(13)20(25)26-6)23-17(24)16-10(3)14-11(4)21-12(5)22-19(14)28-16/h8-9H,7H2,1-6H3,(H,23,24)
InChIKeyHNHHQEZXVZLIFE-UHFFFAOYSA-N
XLogP4.92
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate with MolForge

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Related Compounds

methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55488614
2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55760685
ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
CID 56500611
methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55973372
N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 134056513
N-[[2-(methoxymethyl)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32606435
N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46571134
N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56501540
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
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55844285

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate (CID 56501285) is methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate is COC(=O)c1c(CC(C)C)csc1NC(=O)c1sc2nc(C)nc(C)c2c1C.
What is the InChIKey of methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is HNHHQEZXVZLIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-9(2)7-13-8-27-18(15(13)20(25)26-6)23-17(24)16-10(3)14-11(4)21-12(5)22-19(14)28-16/h8-9H,7H2,1-6H3,(H,23,24).
What are the key properties of methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate?
methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 417.56 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 56501285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).