2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C19H21N3O3S — CID 51216600

IUPAC2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCc1cc2c(=O)n(CC(=O)N(C)Cc3ccccc3OC)cnc2s1
InChIInChI=1S/C19H21N3O3S/c1-4-14-9-15-18(26-14)20-12-22(19(15)24)11-17(23)21(2)10-13-7-5-6-8-16(13)25-3/h5-9,12H,4,10-11H2,1-3H3
InChIKeyKSZZFGRKPUXLSR-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.69
Rot. Bonds6

About 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 51216600) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID51216600
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCc1cc2c(=O)n(CC(=O)N(C)Cc3ccccc3OC)cnc2s1
InChIInChI=1S/C19H21N3O3S/c1-4-14-9-15-18(26-14)20-12-22(19(15)24)11-17(23)21(2)10-13-7-5-6-8-16(13)25-3/h5-9,12H,4,10-11H2,1-3H3
InChIKeyKSZZFGRKPUXLSR-UHFFFAOYSA-N
XLogP2.69
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 18203184
6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 18203155
ethyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652437
2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 47006781
N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1194083
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 18203223
6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 9145858
N-benzyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 733717
3-[2-(2,4-difluorophenyl)-2-oxoethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 17423371
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18195420
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 18203087

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 51216600) is 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is CCc1cc2c(=O)n(CC(=O)N(C)Cc3ccccc3OC)cnc2s1.
What is the InChIKey of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is KSZZFGRKPUXLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-14-9-15-18(26-14)20-12-22(19(15)24)11-17(23)21(2)10-13-7-5-6-8-16(13)25-3/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 371.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 51216600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).