8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

C16H25N3O — CID 56866442

IUPAC8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)c1nccc(CN2CCC3(CCCO3)CC2)n1
InChIInChI=1S/C16H25N3O/c1-13(2)15-17-8-4-14(18-15)12-19-9-6-16(7-10-19)5-3-11-20-16/h4,8,13H,3,5-7,9-12H2,1-2H3
InChIKeyLYXXUBNAMAMJEW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.74
Rot. Bonds3

About 8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 56866442) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID56866442
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)c1nccc(CN2CCC3(CCCO3)CC2)n1
InChIInChI=1S/C16H25N3O/c1-13(2)15-17-8-4-14(18-15)12-19-9-6-16(7-10-19)5-3-11-20-16/h4,8,13H,3,5-7,9-12H2,1-2H3
InChIKeyLYXXUBNAMAMJEW-UHFFFAOYSA-N
XLogP2.74
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-phenyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]ethanone
CID 56899461
2-methyl-8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56915746
5-methyl-5-[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 56713229
1-(2-methyl-4-pyridinyl)-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1,4-diazepane
CID 56893832
4-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1,4-oxazepane-6-carboxylic acid
CID 138377685
(5S)-9-[(2-ethylpyrimidin-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 99935784
4-[(4-benzylpiperazin-1-yl)methyl]-2-(2-methyloxolan-2-yl)pyrimidine
CID 110118049
2-propan-2-yl-4-propylpyrimidine
CID 58111235
9-[(1-phenyltriazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecane
CID 77095087
1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol
CID 136522548
[4-methyl-5-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
CID 50966597
2-[5-[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126447477

Frequently Asked Questions

What is the IUPAC name of 8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 56866442) is 8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane is CC(C)c1nccc(CN2CCC3(CCCO3)CC2)n1.
What is the InChIKey of 8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is LYXXUBNAMAMJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)15-17-8-4-14(18-15)12-19-9-6-16(7-10-19)5-3-11-20-16/h4,8,13H,3,5-7,9-12H2,1-2H3.
What are the key properties of 8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 275.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 56866442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).