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

C19H23FN4O2 — CID 118960402

IUPAC9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cc(Oc2cccc(F)c2)nc(N2CCC3(CC2)CNCCO3)n1
InChIInChI=1S/C19H23FN4O2/c1-14-11-17(26-16-4-2-3-15(20)12-16)23-18(22-14)24-8-5-19(6-9-24)13-21-7-10-25-19/h2-4,11-12,21H,5-10,13H2,1H3
InChIKeyAMRJKHDSDIXQIV-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.68
Rot. Bonds3

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

9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 118960402) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID118960402
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cc(Oc2cccc(F)c2)nc(N2CCC3(CC2)CNCCO3)n1
InChIInChI=1S/C19H23FN4O2/c1-14-11-17(26-16-4-2-3-15(20)12-16)23-18(22-14)24-8-5-19(6-9-24)13-21-7-10-25-19/h2-4,11-12,21H,5-10,13H2,1H3
InChIKeyAMRJKHDSDIXQIV-UHFFFAOYSA-N
XLogP2.68
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118960358
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
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
9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 145044534
4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228710
2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-4-phenoxybenzonitrile
CID 118960496
3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide
CID 175935652
tert-butyl 9-[3-cyano-6-(3-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 118960549
2-(3-fluorophenoxy)-6-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 130402978

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 118960402) is 9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane is Cc1cc(Oc2cccc(F)c2)nc(N2CCC3(CC2)CNCCO3)n1.
What is the InChIKey of 9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is AMRJKHDSDIXQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-14-11-17(26-16-4-2-3-15(20)12-16)23-18(22-14)24-8-5-19(6-9-24)13-21-7-10-25-19/h2-4,11-12,21H,5-10,13H2,1H3.
What are the key properties of 9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 358.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118960402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).