(3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol

C20H18FN3O — CID 98853341

IUPAC(3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C20H18FN3O/c21-16-8-6-14(7-9-16)18-12-17(25)13-24(18)19-10-11-22-20(23-19)15-4-2-1-3-5-15/h1-11,17-18,25H,12-13H2/t17-,18+/m1/s1
InChIKeyAAQYJCFUHUGJBJ-MSOLQXFVSA-N
MW335.38 g/mol
LogP3.60
Rot. Bonds3

About (3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol

(3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 98853341) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is (3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID98853341
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name(3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C20H18FN3O/c21-16-8-6-14(7-9-16)18-12-17(25)13-24(18)19-10-11-22-20(23-19)15-4-2-1-3-5-15/h1-11,17-18,25H,12-13H2/t17-,18+/m1/s1
InChIKeyAAQYJCFUHUGJBJ-MSOLQXFVSA-N
XLogP3.60
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129350803
(3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
CID 100661594
1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 128975572
2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 128963692
5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 128975590
(3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
CID 129350389
(3R,5R)-1-(6-ethoxypyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 100614986
N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 97244837
(3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129350743
6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 97327728
(3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743556
(3R,5S)-5-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 129447051

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol (CID 98853341) is (3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol is O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ccnc(-c3ccccc3)n2)C1.
What is the InChIKey of (3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is AAQYJCFUHUGJBJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-16-8-6-14(7-9-16)18-12-17(25)13-24(18)19-10-11-22-20(23-19)15-4-2-1-3-5-15/h1-11,17-18,25H,12-13H2/t17-,18+/m1/s1.
What are the key properties of (3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol?
(3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 335.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 98853341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).