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

C12H15N3O2 — CID 122243258

IUPACcyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(C1CC1)N1CCC(Oc2ncccn2)C1
InChIInChI=1S/C12H15N3O2/c16-11(9-2-3-9)15-7-4-10(8-15)17-12-13-5-1-6-14-12/h1,5-6,9-10H,2-4,7-8H2
InChIKeyKYLCXERCTSJSIM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.87
Rot. Bonds3

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

cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 122243258) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID122243258
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namecyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(C1CC1)N1CCC(Oc2ncccn2)C1
InChIInChI=1S/C12H15N3O2/c16-11(9-2-3-9)15-7-4-10(8-15)17-12-13-5-1-6-14-12/h1,5-6,9-10H,2-4,7-8H2
InChIKeyKYLCXERCTSJSIM-UHFFFAOYSA-N
XLogP0.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129491136
(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257240
(1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 71799141
cyclopropyl-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 118676010
tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 122257425
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558807
(3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122243290
1-(3-pyrimidin-2-yloxyazetidin-1-yl)prop-2-en-1-one
CID 166410249
2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
CID 71145261
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257244

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone (CID 122243258) is cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone is O=C(C1CC1)N1CCC(Oc2ncccn2)C1.
What is the InChIKey of cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is KYLCXERCTSJSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-11(9-2-3-9)15-7-4-10(8-15)17-12-13-5-1-6-14-12/h1,5-6,9-10H,2-4,7-8H2.
What are the key properties of cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone?
cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 233.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 122243258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).