2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C20H21N3O3S — CID 23410667

IUPAC2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)n1CC(=O)NCC1CCCO1
InChIInChI=1S/C20H21N3O3S/c1-13-22-19-16(10-17(27-19)14-6-3-2-4-7-14)20(25)23(13)12-18(24)21-11-15-8-5-9-26-15/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,21,24)
InChIKeyVRWGENAGLYBUKV-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.73
Rot. Bonds5

About 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 23410667) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID23410667
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)n1CC(=O)NCC1CCCO1
InChIInChI=1S/C20H21N3O3S/c1-13-22-19-16(10-17(27-19)14-6-3-2-4-7-14)20(25)23(13)12-18(24)21-11-15-8-5-9-26-15/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,21,24)
InChIKeyVRWGENAGLYBUKV-UHFFFAOYSA-N
XLogP2.73
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide 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-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478767
N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409185
2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 23410476
N-(2,4-dimethoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409195
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
N-(4-butylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409221
2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92884777
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3224469
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8019525
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 934223
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 934221
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17033154

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 23410667) is 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1nc2sc(-c3ccccc3)cc2c(=O)n1CC(=O)NCC1CCCO1.
What is the InChIKey of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VRWGENAGLYBUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-22-19-16(10-17(27-19)14-6-3-2-4-7-14)20(25)23(13)12-18(24)21-11-15-8-5-9-26-15/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,21,24).
What are the key properties of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 23410667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).