ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C12H14N2O3S — CID 3613421

IUPACethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2cccs2)NC(=O)NC1C
InChIInChI=1S/C12H14N2O3S/c1-3-17-11(15)9-7(2)13-12(16)14-10(9)8-5-4-6-18-8/h4-7H,3H2,1-2H3,(H2,13,14,16)
InChIKeyVFOQGRIQIZJDQE-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.72
Rot. Bonds3

About ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 3613421) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID3613421
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Nameethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2cccs2)NC(=O)NC1C
InChIInChI=1S/C12H14N2O3S/c1-3-17-11(15)9-7(2)13-12(16)14-10(9)8-5-4-6-18-8/h4-7H,3H2,1-2H3,(H2,13,14,16)
InChIKeyVFOQGRIQIZJDQE-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-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 2-oxo-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4652033
ethyl 6-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55385631
ethyl 2-oxo-4-thiophen-2-yl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 155548366
ethyl 6-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4522614
ethyl 6-[[3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 71953811
ethyl 4-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 132839216
ethyl 6-(bromomethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2778109
ethyl 6-cyclopropyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 135083855
ethyl (4S)-4-methyl-2-oxo-6-[(7-oxothieno[3,2-b]pyridin-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 96524128
ethyl (4R)-6-[(2,6-difluorobenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7725729
ethyl (4S)-6-[(2-hydroxybenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7890680
ethyl (4R)-6-methyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 725662

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 3613421) is ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(c2cccs2)NC(=O)NC1C.
What is the InChIKey of ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is VFOQGRIQIZJDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-17-11(15)9-7(2)13-12(16)14-10(9)8-5-4-6-18-8/h4-7H,3H2,1-2H3,(H2,13,14,16).
What are the key properties of ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 3613421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).