(2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide

C17H15FN4O2S — CID 11917449

IUPAC(2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1C[C@H](O)CN1c1ncnc2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C17H15FN4O2S/c18-10-3-1-9(2-4-10)14-6-12-15(25-14)17(21-8-20-12)22-7-11(23)5-13(22)16(19)24/h1-4,6,8,11,13,23H,5,7H2,(H2,19,24)/t11-,13+/m0/s1
InChIKeyLWGVMIUIWNDWQL-WCQYABFASA-N
MW358.40 g/mol
LogP1.92
Rot. Bonds3

About (2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 11917449) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is (2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID11917449
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name(2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1C[C@H](O)CN1c1ncnc2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C17H15FN4O2S/c18-10-3-1-9(2-4-10)14-6-12-15(25-14)17(21-8-20-12)22-7-11(23)5-13(22)16(19)24/h1-4,6,8,11,13,23H,5,7H2,(H2,19,24)/t11-,13+/m0/s1
InChIKeyLWGVMIUIWNDWQL-WCQYABFASA-N
XLogP1.92
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25408489
N-[(4-fluorophenyl)methyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide
CID 140640613
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide
CID 140640617
N-tert-butyl-2-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]acetamide
CID 17437422
6-(4-fluorophenyl)-4-[(3R)-4-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine
CID 141407720
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine
CID 44523935
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 7468825
(2S,4R)-1-(1,3-benzothiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 126836110
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 17459369
2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylpropan-1-one
CID 42900311
N-[(2S)-butan-2-yl]-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetamide
CID 7468820
N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide
CID 73388461

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide (CID 11917449) is (2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide is NC(=O)[C@H]1C[C@H](O)CN1c1ncnc2cc(-c3ccc(F)cc3)sc12.
What is the InChIKey of (2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is LWGVMIUIWNDWQL-WCQYABFASA-N. The full InChI is InChI=1S/C17H15FN4O2S/c18-10-3-1-9(2-4-10)14-6-12-15(25-14)17(21-8-20-12)22-7-11(23)5-13(22)16(19)24/h1-4,6,8,11,13,23H,5,7H2,(H2,19,24)/t11-,13+/m0/s1.
What are the key properties of (2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 11917449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).