(3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone

C25H26N4O3 — CID 110149617

IUPAC(3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone
SMILESO=C(c1cccc(Nc2ncccn2)c1)N1CCC2(CC1)CC(Oc1ccccc1)CO2
InChIInChI=1S/C25H26N4O3/c30-23(19-6-4-7-20(16-19)28-24-26-12-5-13-27-24)29-14-10-25(11-15-29)17-22(18-31-25)32-21-8-2-1-3-9-21/h1-9,12-13,16,22H,10-11,14-15,17-18H2,(H,26,27,28)
InChIKeyRTIMOIZHWOJUFC-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.06
Rot. Bonds5

About (3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone

(3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone (PubChem CID 110149617) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is (3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone
PubChem CID110149617
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name(3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone
SMILESO=C(c1cccc(Nc2ncccn2)c1)N1CCC2(CC1)CC(Oc1ccccc1)CO2
InChIInChI=1S/C25H26N4O3/c30-23(19-6-4-7-20(16-19)28-24-26-12-5-13-27-24)29-14-10-25(11-15-29)17-22(18-31-25)32-21-8-2-1-3-9-21/h1-9,12-13,16,22H,10-11,14-15,17-18H2,(H,26,27,28)
InChIKeyRTIMOIZHWOJUFC-UHFFFAOYSA-N
XLogP4.06
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]-[(3S)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 129453372
pyridin-2-yl-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395040
(5R)-5-phenyl-9-[3-(pyrimidin-2-ylamino)benzoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 125015746
2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 97488515
[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97419194
phenyl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155850390
(6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97419197
(6R)-4-(4-methylphenyl)-10-[3-(pyrimidin-2-ylamino)benzoyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 124960960
phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418986
(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1H-pyrrol-2-yl)methanone
CID 118741128
(4-benzyl-1,4-diazepan-1-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 46605705
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960

Frequently Asked Questions

What is the IUPAC name of (3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone?
The IUPAC name of (3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone (CID 110149617) is (3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone.
What is the SMILES notation for (3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone?
The canonical SMILES for (3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone is O=C(c1cccc(Nc2ncccn2)c1)N1CCC2(CC1)CC(Oc1ccccc1)CO2.
What is the InChIKey of (3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone?
The InChIKey is RTIMOIZHWOJUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-23(19-6-4-7-20(16-19)28-24-26-12-5-13-27-24)29-14-10-25(11-15-29)17-22(18-31-25)32-21-8-2-1-3-9-21/h1-9,12-13,16,22H,10-11,14-15,17-18H2,(H,26,27,28).
What are the key properties of (3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone?
(3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone has a molecular weight of 430.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone is sourced from PubChem (CID 110149617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).