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

C15H16FN3O2 — CID 100710239

IUPAC(3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
SMILESCOc1ccnc(N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n1
InChIInChI=1S/C15H16FN3O2/c1-21-14-5-6-17-15(18-14)19-9-12(20)8-13(19)10-3-2-4-11(16)7-10/h2-7,12-13,20H,8-9H2,1H3/t12-,13+/m0/s1
InChIKeySBNZMRZFRWYYNH-QWHCGFSZSA-N
MW289.31 g/mol
LogP1.94
Rot. Bonds3

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

(3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol (PubChem CID 100710239) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is (3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
PubChem CID100710239
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name(3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
SMILESCOc1ccnc(N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n1
InChIInChI=1S/C15H16FN3O2/c1-21-14-5-6-17-15(18-14)19-9-12(20)8-13(19)10-3-2-4-11(16)7-10/h2-7,12-13,20H,8-9H2,1H3/t12-,13+/m0/s1
InChIKeySBNZMRZFRWYYNH-QWHCGFSZSA-N
XLogP1.94
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 128964886
(3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 129447288
(3R,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 129447289
5-(3-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 128964251
(3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129350743
(3R,5S)-5-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 129447051
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 100721515
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 128964220
(3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 129480601
5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 128975461
(3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481949
(3R,5R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480553

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol (CID 100710239) is (3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol is COc1ccnc(N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n1.
What is the InChIKey of (3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol?
The InChIKey is SBNZMRZFRWYYNH-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-14-5-6-17-15(18-14)19-9-12(20)8-13(19)10-3-2-4-11(16)7-10/h2-7,12-13,20H,8-9H2,1H3/t12-,13+/m0/s1.
What are the key properties of (3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol?
(3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol has a molecular weight of 289.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 100710239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).