[(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C19H23FN4O — CID 100843210

IUPAC[(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cc(N2CC[C@@H](c3cccc(F)c3)C2)ncn1
InChIInChI=1S/C19H23FN4O/c20-16-4-1-3-14(9-16)15-6-8-23(11-15)18-10-19(22-13-21-18)24-7-2-5-17(24)12-25/h1,3-4,9-10,13,15,17,25H,2,5-8,11-12H2/t15-,17+/m1/s1
InChIKeyGEWNFYKTSMAWCX-WBVHZDCISA-N
MW342.42 g/mol
LogP2.57
Rot. Bonds4

About [(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 100843210) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID100843210
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cc(N2CC[C@@H](c3cccc(F)c3)C2)ncn1
InChIInChI=1S/C19H23FN4O/c20-16-4-1-3-14(9-16)15-6-8-23(11-15)18-10-19(22-13-21-18)24-7-2-5-17(24)12-25/h1,3-4,9-10,13,15,17,25H,2,5-8,11-12H2/t15-,17+/m1/s1
InChIKeyGEWNFYKTSMAWCX-WBVHZDCISA-N
XLogP2.57
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 100838350
[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 95763979
(3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95763836
[1-[6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 127891054
[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133300212
[(2R)-1-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 173099689
(3R)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N-phenylpiperidine-3-carboxamide
CID 124857501
[1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 61409466
[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763994
[1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133415910
(3R)-N-cyclopropyl-1-[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 100838344
1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,4-diazepan-5-one
CID 95764100

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 100843210) is [(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1cc(N2CC[C@@H](c3cccc(F)c3)C2)ncn1.
What is the InChIKey of [(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is GEWNFYKTSMAWCX-WBVHZDCISA-N. The full InChI is InChI=1S/C19H23FN4O/c20-16-4-1-3-14(9-16)15-6-8-23(11-15)18-10-19(22-13-21-18)24-7-2-5-17(24)12-25/h1,3-4,9-10,13,15,17,25H,2,5-8,11-12H2/t15-,17+/m1/s1.
What are the key properties of [(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 342.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 100843210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).