5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol

C18H21FN4O2 — CID 128975590

IUPAC5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESOC1CC(c2ccc(F)cc2)N(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H21FN4O2/c19-14-3-1-13(2-4-14)16-9-15(24)11-23(16)18-10-17(20-12-21-18)22-5-7-25-8-6-22/h1-4,10,12,15-16,24H,5-9,11H2
InChIKeyQNFQOLSWADAGQN-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.76
Rot. Bonds3

About 5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol

5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 128975590) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID128975590
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESOC1CC(c2ccc(F)cc2)N(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H21FN4O2/c19-14-3-1-13(2-4-14)16-9-15(24)11-23(16)18-10-17(20-12-21-18)22-5-7-25-8-6-22/h1-4,10,12,15-16,24H,5-9,11H2
InChIKeyQNFQOLSWADAGQN-UHFFFAOYSA-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
(3R,5R)-1-(6-ethoxypyrimidin-4-yl)-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 100614986
(3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129350743
(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
(3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol
CID 98853341
(3S,5R)-5-(3,4-difluorophenyl)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-ol
CID 100615084
5-(3,4-difluorophenyl)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-ol
CID 128963877
2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 128963692
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690
(3R,5S)-5-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 129447051
(3R,5R)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol
CID 129350498

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 128975590) is 5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol is OC1CC(c2ccc(F)cc2)N(c2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of 5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is QNFQOLSWADAGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-14-3-1-13(2-4-14)16-9-15(24)11-23(16)18-10-17(20-12-21-18)22-5-7-25-8-6-22/h1-4,10,12,15-16,24H,5-9,11H2.
What are the key properties of 5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
5-(4-fluorophenyl)-1-(6-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 5-(4-fluorophenyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 128975590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).