[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C21H21N5O4S — CID 24669655

IUPAC[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc(C)c2c(N)c(C(=O)OCC(=O)Nc3cccc(C(=O)NC4CC4)c3)sc2n1
InChIInChI=1S/C21H21N5O4S/c1-10-16-17(22)18(31-20(16)24-11(2)23-10)21(29)30-9-15(27)25-14-5-3-4-12(8-14)19(28)26-13-6-7-13/h3-5,8,13H,6-7,9,22H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyPQEZTEZQFMSFDB-UHFFFAOYSA-N
MW439.50 g/mol
LogP2.58
Rot. Bonds6

About [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 24669655) has the molecular formula C21H21N5O4S and a molecular weight of 439.50 g/mol. Its IUPAC name is [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID24669655
Molecular FormulaC21H21N5O4S
Molecular Weight439.50 g/mol
Exact Mass439.13
IUPAC Name[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc(C)c2c(N)c(C(=O)OCC(=O)Nc3cccc(C(=O)NC4CC4)c3)sc2n1
InChIInChI=1S/C21H21N5O4S/c1-10-16-17(22)18(31-20(16)24-11(2)23-10)21(29)30-9-15(27)25-14-5-3-4-12(8-14)19(28)26-13-6-7-13/h3-5,8,13H,6-7,9,22H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyPQEZTEZQFMSFDB-UHFFFAOYSA-N
XLogP2.58
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 42039111
N-[3-(cyclopropylcarbamoyl)phenyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24506420
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 24567536
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
CID 17170486
[2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469402
N-cyclopropyl-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 24581450
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
CID 16578890
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 24567636
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate
CID 18280184
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate
CID 46668098

Frequently Asked Questions

What is the IUPAC name of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 24669655) is [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is Cc1nc(C)c2c(N)c(C(=O)OCC(=O)Nc3cccc(C(=O)NC4CC4)c3)sc2n1.
What is the InChIKey of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is PQEZTEZQFMSFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4S/c1-10-16-17(22)18(31-20(16)24-11(2)23-10)21(29)30-9-15(27)25-14-5-3-4-12(8-14)19(28)26-13-6-7-13/h3-5,8,13H,6-7,9,22H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 439.50 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 24669655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).