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

C15H15F2N3O2 — CID 129447288

IUPAC(3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
SMILESCOc1ccnc(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1
InChIInChI=1S/C15H15F2N3O2/c1-22-14-4-5-18-15(19-14)20-8-10(21)7-13(20)11-6-9(16)2-3-12(11)17/h2-6,10,13,21H,7-8H2,1H3/t10-,13-/m0/s1
InChIKeyYPMPAKKBLUWTOU-GWCFXTLKSA-N
MW307.30 g/mol
LogP2.08
Rot. Bonds3

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

(3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol (PubChem CID 129447288) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is (3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
PubChem CID129447288
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name(3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
SMILESCOc1ccnc(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1
InChIInChI=1S/C15H15F2N3O2/c1-22-14-4-5-18-15(19-14)20-8-10(21)7-13(20)11-6-9(16)2-3-12(11)17/h2-6,10,13,21H,7-8H2,1H3/t10-,13-/m0/s1
InChIKeyYPMPAKKBLUWTOU-GWCFXTLKSA-N
XLogP2.08
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 129447289
(3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 100710239
5-(3-methoxyphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 128964886
(3R,5S)-5-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 129447051
2-[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 100647104
2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 128964357
5-(2,5-difluorophenyl)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-ol
CID 128975508
1-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 100652871
5-(2,5-difluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-ol
CID 133461945
5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 133461946
[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 129381211
(3R,5R)-1-tert-butyl-5-(2,5-difluorophenyl)pyrrolidin-3-ol
CID 158694292

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol (CID 129447288) is (3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol is COc1ccnc(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1.
What is the InChIKey of (3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol?
The InChIKey is YPMPAKKBLUWTOU-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-22-14-4-5-18-15(19-14)20-8-10(21)7-13(20)11-6-9(16)2-3-12(11)17/h2-6,10,13,21H,7-8H2,1H3/t10-,13-/m0/s1.
What are the key properties of (3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol?
(3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol has a molecular weight of 307.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(2,5-difluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129447288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).