methyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate

C19H19N3O2S — CID 1349144

IUPACmethyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(-c3ccccc3)nc(N3CCCC3)c2c1C
InChIInChI=1S/C19H19N3O2S/c1-12-14-17(22-10-6-7-11-22)20-16(13-8-4-3-5-9-13)21-18(14)25-15(12)19(23)24-2/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyBVMCLDCWEQSYQW-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.05
Rot. Bonds3

About methyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate

methyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 1349144) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is methyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID1349144
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Namemethyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(-c3ccccc3)nc(N3CCCC3)c2c1C
InChIInChI=1S/C19H19N3O2S/c1-12-14-17(22-10-6-7-11-22)20-16(13-8-4-3-5-9-13)21-18(14)25-15(12)19(23)24-2/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyBVMCLDCWEQSYQW-UHFFFAOYSA-N
XLogP4.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate (CID 1349144) is methyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(-c3ccccc3)nc(N3CCCC3)c2c1C.
What is the InChIKey of methyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is BVMCLDCWEQSYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-14-17(22-10-6-7-11-22)20-16(13-8-4-3-5-9-13)21-18(14)25-15(12)19(23)24-2/h3-5,8-9H,6-7,10-11H2,1-2H3.
What are the key properties of methyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate?
methyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 353.45 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 1349144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).