ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate

C15H16N4O3S — CID 133487382

IUPACethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(Oc3cnn(C)c3)c2c1C
InChIInChI=1S/C15H16N4O3S/c1-5-21-15(20)12-8(2)11-13(17-9(3)18-14(11)23-12)22-10-6-16-19(4)7-10/h6-7H,5H2,1-4H3
InChIKeySUFSFQIDIMGCPA-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.01
Rot. Bonds4

About ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate

ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 133487382) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID133487382
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Nameethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(Oc3cnn(C)c3)c2c1C
InChIInChI=1S/C15H16N4O3S/c1-5-21-15(20)12-8(2)11-13(17-9(3)18-14(11)23-12)22-10-6-16-19(4)7-10/h6-7H,5H2,1-4H3
InChIKeySUFSFQIDIMGCPA-UHFFFAOYSA-N
XLogP3.01
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-(3,4-difluorophenoxy)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26454856
ethyl 2,5-dimethyl-4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133365066
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-[2-(4-methylpyrazol-1-yl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133281784
1-(6-ethoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064581
methyl 2,5-dimethyl-4-[(1-methylpyrazol-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 47054742
ethyl 2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 4097687
ethyl 4-(cyclopentylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4963424
ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
CID 9251221
ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133344469
methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate
CID 133406573
ethyl 4-(2,3-dimethylthiomorpholin-4-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133309131

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate (CID 133487382) is ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(C)nc(Oc3cnn(C)c3)c2c1C.
What is the InChIKey of ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is SUFSFQIDIMGCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-5-21-15(20)12-8(2)11-13(17-9(3)18-14(11)23-12)22-10-6-16-19(4)7-10/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 332.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 133487382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).