5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one

C15H17F2N3O3 — CID 154783994

IUPAC5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=C(Cc1c(O)nc[nH]c1=O)N1C2CCC1CC1(C2)CC1(F)F
InChIInChI=1S/C15H17F2N3O3/c16-15(17)6-14(15)4-8-1-2-9(5-14)20(8)11(21)3-10-12(22)18-7-19-13(10)23/h7-9H,1-6H2,(H2,18,19,22,23)
InChIKeyCXOUPWGNURXUSY-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.20
Rot. Bonds2

About 5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one

5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 154783994) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID154783994
Molecular FormulaC15H17F2N3O3
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Name5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=C(Cc1c(O)nc[nH]c1=O)N1C2CCC1CC1(C2)CC1(F)F
InChIInChI=1S/C15H17F2N3O3/c16-15(17)6-14(15)4-8-1-2-9(5-14)20(8)11(21)3-10-12(22)18-7-19-13(10)23/h7-9H,1-6H2,(H2,18,19,22,23)
InChIKeyCXOUPWGNURXUSY-UHFFFAOYSA-N
XLogP1.20
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one with MolForge

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Related Compounds

ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
CID 135416561
2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 135767357
5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 154849739
4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one
CID 141348962
2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 154795174
4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one
CID 86708082
4-hydroxy-5-(4-sulfanylbut-1-enyl)-1H-pyrimidin-6-one
CID 170477983
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenyl)ethanone;ethane
CID 145332468
2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid
CID 136758159
1-[3-[(2,4-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 166191466
4-[3-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1H-pyrimidin-6-one
CID 154770694
(1R,5S)-8-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-one
CID 100627987

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one (CID 154783994) is 5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one is O=C(Cc1c(O)nc[nH]c1=O)N1C2CCC1CC1(C2)CC1(F)F.
What is the InChIKey of 5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is CXOUPWGNURXUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c16-15(17)6-14(15)4-8-1-2-9(5-14)20(8)11(21)3-10-12(22)18-7-19-13(10)23/h7-9H,1-6H2,(H2,18,19,22,23).
What are the key properties of 5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one?
5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 325.32 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 154783994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).