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

C18H21FN4O2 — CID 129350803

IUPAC(3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](c2ccc(F)cc2)N(c2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C18H21FN4O2/c19-14-3-1-13(2-4-14)16-11-15(24)12-23(16)17-5-6-20-18(21-17)22-7-9-25-10-8-22/h1-6,15-16,24H,7-12H2/t15-,16-/m1/s1
InChIKeyCWUBETJCQIVCES-HZPDHXFCSA-N
MW344.39 g/mol
LogP1.76
Rot. Bonds3

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

(3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 129350803) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID129350803
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](c2ccc(F)cc2)N(c2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C18H21FN4O2/c19-14-3-1-13(2-4-14)16-11-15(24)12-23(16)17-5-6-20-18(21-17)22-7-9-25-10-8-22/h1-6,15-16,24H,7-12H2/t15-,16-/m1/s1
InChIKeyCWUBETJCQIVCES-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-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129350743
5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 128975590
(3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 67953165
(3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol
CID 98853341
(3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
CID 100661594
1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 128975572
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 129346026
(3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
CID 129350389
(3R,5R)-1-(6-ethoxypyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 100614986
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888108

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 129350803) is (3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol is O[C@@H]1C[C@H](c2ccc(F)cc2)N(c2ccnc(N3CCOCC3)n2)C1.
What is the InChIKey of (3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is CWUBETJCQIVCES-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-14-3-1-13(2-4-14)16-11-15(24)12-23(16)17-5-6-20-18(21-17)22-7-9-25-10-8-22/h1-6,15-16,24H,7-12H2/t15-,16-/m1/s1.
What are the key properties of (3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
(3R,5R)-5-(4-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-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129350803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).