4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one

C16H25N3O3 — CID 136822778

IUPAC4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC3(CC2)OCCC[C@H]3O)cc(=O)[nH]1
InChIInChI=1S/C16H25N3O3/c1-11(2)15-17-13(10-14(21)18-15)19-7-5-16(6-8-19)12(20)4-3-9-22-16/h10-12,20H,3-9H2,1-2H3,(H,17,18,21)/t12-/m1/s1
InChIKeyGBUGEUAVJAVTGY-GFCCVEGCSA-N
MW307.39 g/mol
LogP1.40
Rot. Bonds2

About 4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136822778) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136822778
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC3(CC2)OCCC[C@H]3O)cc(=O)[nH]1
InChIInChI=1S/C16H25N3O3/c1-11(2)15-17-13(10-14(21)18-15)19-7-5-16(6-8-19)12(20)4-3-9-22-16/h10-12,20H,3-9H2,1-2H3,(H,17,18,21)/t12-/m1/s1
InChIKeyGBUGEUAVJAVTGY-GFCCVEGCSA-N
XLogP1.40
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-[(5-hydroxy-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]-4(3H)-pyrimidinone
CID 72937791
2-cyclopropyl-5-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one
CID 97155127
2-cyclopropyl-5-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one
CID 97155128
9-(6-Hydroxy-2-isopropylpyrimidin-4-YL)-1-oxa-9-azaspiro[5.5]undecan-5-OL
CID 136216766
4-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136822779
N-[rel-(4R,5S)-9-(2-amino-6-hydroxy-4-pyrimidinyl)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-yl]-2-methoxyacetamide formate
CID 138382220
rel-(3S,4S)-9-(2-amino-6-hydroxy-4-pyrimidinyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 163318307
rel-(4S,5S)-9-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 164697787

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136822778) is 4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCC3(CC2)OCCC[C@H]3O)cc(=O)[nH]1.
What is the InChIKey of 4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GBUGEUAVJAVTGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)15-17-13(10-14(21)18-15)19-7-5-16(6-8-19)12(20)4-3-9-22-16/h10-12,20H,3-9H2,1-2H3,(H,17,18,21)/t12-/m1/s1.
What are the key properties of 4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 307.39 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136822778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).