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

C14H13F2N3O — CID 100661594

IUPAC(3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ncc(F)cn2)C1
InChIInChI=1S/C14H13F2N3O/c15-10-3-1-9(2-4-10)13-5-12(20)8-19(13)14-17-6-11(16)7-18-14/h1-4,6-7,12-13,20H,5,8H2/t12-,13+/m1/s1
InChIKeyREKNHAZZAMPNFU-OLZOCXBDSA-N
MW277.27 g/mol
LogP2.07
Rot. Bonds2

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

(3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol (PubChem CID 100661594) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is (3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
PubChem CID100661594
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name(3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ncc(F)cn2)C1
InChIInChI=1S/C14H13F2N3O/c15-10-3-1-9(2-4-10)13-5-12(20)8-19(13)14-17-6-11(16)7-18-14/h1-4,6-7,12-13,20H,5,8H2/t12-,13+/m1/s1
InChIKeyREKNHAZZAMPNFU-OLZOCXBDSA-N
XLogP2.07
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-5-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 129447051
5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol
CID 128975512
(3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
CID 129350389
(3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129350803
(3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol
CID 98853341
(3R,5R)-1-(6-ethoxypyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 100614986
5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 128975590
(3S,5S)-5-(4-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
CID 129350956
1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 128975572
6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 97327728
2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 128963692
N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 97244837

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol (CID 100661594) is (3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol is O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ncc(F)cn2)C1.
What is the InChIKey of (3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol?
The InChIKey is REKNHAZZAMPNFU-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-10-3-1-9(2-4-10)13-5-12(20)8-19(13)14-17-6-11(16)7-18-14/h1-4,6-7,12-13,20H,5,8H2/t12-,13+/m1/s1.
What are the key properties of (3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol?
(3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol has a molecular weight of 277.27 g/mol, XLogP of 2.07, 2 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-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 100661594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).