(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C17H15N3O2S — CID 28846771

IUPAC(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H15N3O2S/c21-17(22)13-7-4-8-20(13)15-12-9-14(11-5-2-1-3-6-11)23-16(12)19-10-18-15/h1-3,5-6,9-10,13H,4,7-8H2,(H,21,22)/t13-/m1/s1
InChIKeyYYBDNFCDZRLPTF-CYBMUJFWSA-N
MW325.39 g/mol
LogP3.41
Rot. Bonds3

About (2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 28846771) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is (2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID28846771
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H15N3O2S/c21-17(22)13-7-4-8-20(13)15-12-9-14(11-5-2-1-3-6-11)23-16(12)19-10-18-15/h1-3,5-6,9-10,13H,4,7-8H2,(H,21,22)/t13-/m1/s1
InChIKeyYYBDNFCDZRLPTF-CYBMUJFWSA-N
XLogP3.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-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

[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286404
morpholin-4-yl-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 55500958
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 43140039
3-methyl-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052335
(2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051882
(2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 52676705
4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride
CID 20982587
4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine
CID 2816831
2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 3937786
4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine
CID 7997116
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 84818658
2,5-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 154860690

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 28846771) is (2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of (2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is YYBDNFCDZRLPTF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-17(22)13-7-4-8-20(13)15-12-9-14(11-5-2-1-3-6-11)23-16(12)19-10-18-15/h1-3,5-6,9-10,13H,4,7-8H2,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 325.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28846771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).