ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate

C15H12N2O3S — CID 135518168

IUPACethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc2cc(-c3ccccc3)sc2c(=O)[nH]1
InChIInChI=1S/C15H12N2O3S/c1-2-20-15(19)13-16-10-8-11(9-6-4-3-5-7-9)21-12(10)14(18)17-13/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyNRJZLGRBVAFFOK-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.83
Rot. Bonds3

About ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate

ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate (PubChem CID 135518168) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate
PubChem CID135518168
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Nameethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc2cc(-c3ccccc3)sc2c(=O)[nH]1
InChIInChI=1S/C15H12N2O3S/c1-2-20-15(19)13-16-10-8-11(9-6-4-3-5-7-9)21-12(10)14(18)17-13/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyNRJZLGRBVAFFOK-UHFFFAOYSA-N
XLogP2.83
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-benzyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 59298640
ethyl 6-bromo-4-oxo-3H-quinazoline-2-carboxylate
CID 135726667
ethyl 4-oxo-3H-pyrimido[4,5-b]quinoline-2-carboxylate
CID 135765023
ethyl 5-methyl-4-oxo-2-phenyl-3H-thieno[3,4-d]pyrimidine-7-carboxylate
CID 135495590
ethyl 2-oxo-5-phenyl-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8-triene-10-carboxylate
CID 3758971
ethyl 3-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 135441544
ethyl 2-methyl-7-oxo-6H-[1,3]thiazolo[5,4-d]pyrimidine-5-carboxylate
CID 59298245
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291290
ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 9467715
diethyl 4-[5-[4-[5-[2,6-bis(ethoxycarbonyl)-4-pyridinyl]thiophen-2-yl]phenyl]thiophen-2-yl]pyridine-2,6-dicarboxylate
CID 102149888
ethyl 2-benzyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 68663388

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate (CID 135518168) is ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate is CCOC(=O)c1nc2cc(-c3ccccc3)sc2c(=O)[nH]1.
What is the InChIKey of ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate?
The InChIKey is NRJZLGRBVAFFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-2-20-15(19)13-16-10-8-11(9-6-4-3-5-7-9)21-12(10)14(18)17-13/h3-8H,2H2,1H3,(H,16,17,18).
What are the key properties of ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate?
ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate has a molecular weight of 300.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-6-phenyl-3H-thieno[3,2-d]pyrimidine-2-carboxylate is sourced from PubChem (CID 135518168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).