3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide

C16H15N3O2S — CID 6421611

IUPAC3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide
SMILESCCc1cc2c(=O)n(Cc3ccccc3)c(C(N)=O)nc2s1
InChIInChI=1S/C16H15N3O2S/c1-2-11-8-12-15(22-11)18-14(13(17)20)19(16(12)21)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,17,20)
InChIKeyQUXRLODHYXGZTG-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.17
Rot. Bonds4

About 3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide

3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide (PubChem CID 6421611) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide
PubChem CID6421611
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide
SMILESCCc1cc2c(=O)n(Cc3ccccc3)c(C(N)=O)nc2s1
InChIInChI=1S/C16H15N3O2S/c1-2-11-8-12-15(22-11)18-14(13(17)20)19(16(12)21)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,17,20)
InChIKeyQUXRLODHYXGZTG-UHFFFAOYSA-N
XLogP2.17
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide 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

2-(2-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethanethioamide
CID 39158874
ethyl 3-[(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 28692467
ethyl 4-[(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 28692459
3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 68724550
2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 6488794
3-[2-[(3-chlorophenyl)methyl]-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 28900345
5-[(6-ethyl-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895870
6-ethyl-2-(2-hydroxyethylsulfanyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-one
CID 17446128
6-ethyl-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-d]pyrimidine-2-carboxamide
CID 6426398
3-[[2-[(3-chlorophenyl)methyl]-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile
CID 110832740
2-(6-ethyl-4-oxo-2-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
CID 39158813
6-ethyl-2-(2-ethylsulfonylethylsulfanyl)-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-one
CID 86970568

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide (CID 6421611) is 3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide is CCc1cc2c(=O)n(Cc3ccccc3)c(C(N)=O)nc2s1.
What is the InChIKey of 3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is QUXRLODHYXGZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-2-11-8-12-15(22-11)18-14(13(17)20)19(16(12)21)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,17,20).
What are the key properties of 3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide?
3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 6421611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).