ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C18H22N4O3S — CID 133357286

IUPACethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(NC3CC(=O)N(C4CC4)C3)c2c1C
InChIInChI=1S/C18H22N4O3S/c1-4-25-18(24)15-9(2)14-16(19-10(3)20-17(14)26-15)21-11-7-13(23)22(8-11)12-5-6-12/h11-12H,4-8H2,1-3H3,(H,19,20,21)
InChIKeyNVUHBPZCYOLHSZ-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.66
Rot. Bonds5

About ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 133357286) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID133357286
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Nameethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(NC3CC(=O)N(C4CC4)C3)c2c1C
InChIInChI=1S/C18H22N4O3S/c1-4-25-18(24)15-9(2)14-16(19-10(3)20-17(14)26-15)21-11-7-13(23)22(8-11)12-5-6-12/h11-12H,4-8H2,1-3H3,(H,19,20,21)
InChIKeyNVUHBPZCYOLHSZ-UHFFFAOYSA-N
XLogP2.66
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl 4-(cyclopentylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4963424
methyl 4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133342294
ethyl 4-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133376437
ethyl 2,5-dimethyl-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133330203
ethyl 2,5-dimethyl-4-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 95327408
ethyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 55828940
ethyl 4-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133358062
methyl 4-(cyclooctylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 8002219
methyl 4-(cycloheptylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 8004574
ethyl 4-[[3-(cyclohexylamino)-3-oxopropyl]amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 55854986
1-(6-ethoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064581
ethyl 2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 4097687

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 133357286) is ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(C)nc(NC3CC(=O)N(C4CC4)C3)c2c1C.
What is the InChIKey of ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is NVUHBPZCYOLHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-4-25-18(24)15-9(2)14-16(19-10(3)20-17(14)26-15)21-11-7-13(23)22(8-11)12-5-6-12/h11-12H,4-8H2,1-3H3,(H,19,20,21).
What are the key properties of ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 374.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 133357286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).