ethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate

C20H23N3O3S — CID 139222302

IUPACethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(N(CC)CC)n(-c3ccccc3)c(=O)c2c1C
InChIInChI=1S/C20H23N3O3S/c1-5-22(6-2)20-21-17-15(13(4)16(27-17)19(25)26-7-3)18(24)23(20)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3
InChIKeyHWMQCDAPWCCZNT-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.78
Rot. Bonds6

About ethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 139222302) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is ethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID139222302
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Nameethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(N(CC)CC)n(-c3ccccc3)c(=O)c2c1C
InChIInChI=1S/C20H23N3O3S/c1-5-22(6-2)20-21-17-15(13(4)16(27-17)19(25)26-7-3)18(24)23(20)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3
InChIKeyHWMQCDAPWCCZNT-UHFFFAOYSA-N
XLogP3.78
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-2-[[(4-methylanilino)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
CID 2810963
Ethyl 5-amino-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
CID 1084374
Diethyl 3-methyl-5-(2-((4-oxo-3-(p-tolyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamido)thiophene-2,4-dicarboxylate
CID 2155204
ethyl 5-methyl-4-oxo-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2399213
Methyl 3-amino-5-methyl-2-({[methyl(phenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3H,4H-thieno[2,3-D]pyrimidine-6-carboxylate
CID 6622203
Ethyl 3-benzyl-1-(2-(dimethylamino)ethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 8072033
ethyl 5-methyl-4-oxo-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 118712329
8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-10H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[1,5-a]pyrimidin-10-one
CID 1013437
Ethyl 3-(2-hydroxyethyl)-5-methyl-2,4-dioxo-1-phenethyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 8072533
Ethyl 3-{[(2-fluorophenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-D]pyrimidine-6-carboxylate
CID 1078243
Ethyl 3-{[(3,5-dimethylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-D]pyrimidine-6-carboxylate
CID 1689018
Ethyl 2-{3-ethyl-5-methyl-4-oxo-3H,4H-thieno[2,3-D]pyrimidine-6-amido}benzoate
CID 15991117

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate (CID 139222302) is ethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(N(CC)CC)n(-c3ccccc3)c(=O)c2c1C.
What is the InChIKey of ethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is HWMQCDAPWCCZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-5-22(6-2)20-21-17-15(13(4)16(27-17)19(25)26-7-3)18(24)23(20)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 385.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylamino)-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 139222302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).