9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane

C19H22F2N4O2 — CID 118960358

IUPAC9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cc(Oc2cc(F)cc(F)c2)nc(N2CCC3(CC2)CNCCO3)n1
InChIInChI=1S/C19H22F2N4O2/c1-13-8-17(27-16-10-14(20)9-15(21)11-16)24-18(23-13)25-5-2-19(3-6-25)12-22-4-7-26-19/h8-11,22H,2-7,12H2,1H3
InChIKeySLHTUCGVVCCEHE-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.81
Rot. Bonds3

About 9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane

9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 118960358) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is 9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID118960358
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cc(Oc2cc(F)cc(F)c2)nc(N2CCC3(CC2)CNCCO3)n1
InChIInChI=1S/C19H22F2N4O2/c1-13-8-17(27-16-10-14(20)9-15(21)11-16)24-18(23-13)25-5-2-19(3-6-25)12-22-4-7-26-19/h8-11,22H,2-7,12H2,1H3
InChIKeySLHTUCGVVCCEHE-UHFFFAOYSA-N
XLogP2.81
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118960402
9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118960378
9-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;hydrochloride
CID 118960498
9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 145044534
tert-butyl 9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 118960409
9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118960372
9-[4,5-difluoro-2-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane;hydrochloride
CID 118960478
4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228710
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyrimidine-5-carboxamide
CID 177108543
8-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 166304093
2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-4-phenoxybenzonitrile
CID 118960496
4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 115973034

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 118960358) is 9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane is Cc1cc(Oc2cc(F)cc(F)c2)nc(N2CCC3(CC2)CNCCO3)n1.
What is the InChIKey of 9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is SLHTUCGVVCCEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-13-8-17(27-16-10-14(20)9-15(21)11-16)24-18(23-13)25-5-2-19(3-6-25)12-22-4-7-26-19/h8-11,22H,2-7,12H2,1H3.
What are the key properties of 9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 376.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118960358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).