(3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol

C18H21FN4O2 — CID 129350743

IUPAC(3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C18H21FN4O2/c19-14-3-1-2-13(10-14)16-11-15(24)12-23(16)17-4-5-20-18(21-17)22-6-8-25-9-7-22/h1-5,10,15-16,24H,6-9,11-12H2/t15-,16-/m1/s1
InChIKeyIXTWEDPSXIEDFT-HZPDHXFCSA-N
MW344.39 g/mol
LogP1.76
Rot. Bonds3

About (3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol

(3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 129350743) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID129350743
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C18H21FN4O2/c19-14-3-1-2-13(10-14)16-11-15(24)12-23(16)17-4-5-20-18(21-17)22-6-8-25-9-7-22/h1-5,10,15-16,24H,6-9,11-12H2/t15-,16-/m1/s1
InChIKeyIXTWEDPSXIEDFT-HZPDHXFCSA-N
XLogP1.76
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129350803
(3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 100710239
(3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 67953165
(3S,5R)-1-(5-chloro-2-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480765
5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 128975590
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 136536132
2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 129448984
(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
6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129480751
(3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol
CID 98853341

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 129350743) is (3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol is O[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccnc(N3CCOCC3)n2)C1.
What is the InChIKey of (3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is IXTWEDPSXIEDFT-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-14-3-1-2-13(10-14)16-11-15(24)12-23(16)17-4-5-20-18(21-17)22-6-8-25-9-7-22/h1-5,10,15-16,24H,6-9,11-12H2/t15-,16-/m1/s1.
What are the key properties of (3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
(3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 344.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129350743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).