(3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol

C15H16FN3O — CID 129480618

IUPAC(3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2cncnc2)C1
InChIInChI=1S/C15H16FN3O/c16-13-3-1-2-12(4-13)15-5-14(20)9-19(15)8-11-6-17-10-18-7-11/h1-4,6-7,10,14-15,20H,5,8-9H2/t14-,15-/m0/s1
InChIKeyDAPLXVXUMVWHKN-GJZGRUSLSA-N
MW273.31 g/mol
LogP1.92
Rot. Bonds3

About (3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol

(3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol (PubChem CID 129480618) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is (3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
PubChem CID129480618
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name(3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2cncnc2)C1
InChIInChI=1S/C15H16FN3O/c16-13-3-1-2-12(4-13)15-5-14(20)9-19(15)8-11-6-17-10-18-7-11/h1-4,6-7,10,14-15,20H,5,8-9H2/t14-,15-/m0/s1
InChIKeyDAPLXVXUMVWHKN-GJZGRUSLSA-N
XLogP1.92
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-1-(pyrimidin-5-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129398116
(3S,5S)-5-(4-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
CID 129350956
4-[[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 129480577
(3S,5R)-1-[(3,4-dimethoxyphenyl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480686
(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480762
(3S,5S)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480760
5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 128975913
(3R,5R)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480964
1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol;hydrochloride
CID 120905747
(3R,5R)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129447084
3-[[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 129480696
(3R,5S)-1-[(4-aminopyrimidin-2-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480505

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol (CID 129480618) is (3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol is O[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2cncnc2)C1.
What is the InChIKey of (3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol?
The InChIKey is DAPLXVXUMVWHKN-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-13-3-1-2-12(4-13)15-5-14(20)9-19(15)8-11-6-17-10-18-7-11/h1-4,6-7,10,14-15,20H,5,8-9H2/t14-,15-/m0/s1.
What are the key properties of (3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol?
(3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol has a molecular weight of 273.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 129480618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).