5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid

C20H19N3O4S — CID 17430283

IUPAC5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(OCC(=O)NC3CCCc4ccccc43)c12
InChIInChI=1S/C20H19N3O4S/c1-11-16-18(21-10-22-19(16)28-17(11)20(25)26)27-9-15(24)23-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,10,14H,4,6,8-9H2,1H3,(H,23,24)(H,25,26)
InChIKeyISSYOCRSCHCGEN-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.27
Rot. Bonds5

About 5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid

5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 17430283) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID17430283
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(OCC(=O)NC3CCCc4ccccc43)c12
InChIInChI=1S/C20H19N3O4S/c1-11-16-18(21-10-22-19(16)28-17(11)20(25)26)27-9-15(24)23-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,10,14H,4,6,8-9H2,1H3,(H,23,24)(H,25,26)
InChIKeyISSYOCRSCHCGEN-UHFFFAOYSA-N
XLogP3.27
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid 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-[[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]oxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2484064
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45249432
2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2554404
4-(cyclopentylmethoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 66323880
[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 26344574
(2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7887400
2-(4-propanoylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2542209
2-(2,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709177
2-(4-phenylmethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919823
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40846792
N-(3-hydroxy-2,2-dimethylpropyl)-5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45166915

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 17430283) is 5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(OCC(=O)NC3CCCc4ccccc43)c12.
What is the InChIKey of 5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is ISSYOCRSCHCGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-11-16-18(21-10-22-19(16)28-17(11)20(25)26)27-9-15(24)23-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,10,14H,4,6,8-9H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid?
5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 397.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 17430283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).