(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone

C15H14FN3O2 — CID 122243263

IUPAC(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCC(Oc2ncccn2)C1
InChIInChI=1S/C15H14FN3O2/c16-13-5-2-1-4-12(13)14(20)19-9-6-11(10-19)21-15-17-7-3-8-18-15/h1-5,7-8,11H,6,9-10H2
InChIKeyRWQCIMSHIOJMJH-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.91
Rot. Bonds3

About (2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone

(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 122243263) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is (2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID122243263
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCC(Oc2ncccn2)C1
InChIInChI=1S/C15H14FN3O2/c16-13-5-2-1-4-12(13)14(20)19-9-6-11(10-19)21-15-17-7-3-8-18-15/h1-5,7-8,11H,6,9-10H2
InChIKeyRWQCIMSHIOJMJH-UHFFFAOYSA-N
XLogP1.91
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267132
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 119100517
(2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558762
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257485
[2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243556
cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243258
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
(3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122243290
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129491148

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone (CID 122243263) is (2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone is O=C(c1ccccc1F)N1CCC(Oc2ncccn2)C1.
What is the InChIKey of (2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is RWQCIMSHIOJMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-13-5-2-1-4-12(13)14(20)19-9-6-11(10-19)21-15-17-7-3-8-18-15/h1-5,7-8,11H,6,9-10H2.
What are the key properties of (2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone?
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 287.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 122243263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).