8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

C18H25N5O — CID 110138396

IUPAC8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCn1ccnc1CN1CCC2(CC1)COC(Cc1cncnc1)C2
InChIInChI=1S/C18H25N5O/c1-22-7-4-21-17(22)12-23-5-2-18(3-6-23)9-16(24-13-18)8-15-10-19-14-20-11-15/h4,7,10-11,14,16H,2-3,5-6,8-9,12-13H2,1H3
InChIKeyGRUSZZFSVHFPIS-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.82
Rot. Bonds4

About 8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 110138396) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID110138396
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCn1ccnc1CN1CCC2(CC1)COC(Cc1cncnc1)C2
InChIInChI=1S/C18H25N5O/c1-22-7-4-21-17(22)12-23-5-2-18(3-6-23)9-16(24-13-18)8-15-10-19-14-20-11-15/h4,7,10-11,14,16H,2-3,5-6,8-9,12-13H2,1H3
InChIKeyGRUSZZFSVHFPIS-UHFFFAOYSA-N
XLogP1.82
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124960043
8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
CID 134071181
(3S)-8-[(3-methylimidazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124960859
8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449880
1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 70755285
(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965584
(3R)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965583
(5S)-2-[(1-methylimidazol-2-yl)methyl]-10-(5-methylpyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472103
(3S)-3-[(3-fluorophenyl)methyl]-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 125004078
(7S)-2-(3-phenylpropyl)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 124960781
7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane
CID 110138617
(2-methylpyrazol-3-yl)-[7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 110138594

Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (CID 110138396) is 8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is Cn1ccnc1CN1CCC2(CC1)COC(Cc1cncnc1)C2.
What is the InChIKey of 8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is GRUSZZFSVHFPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22-7-4-21-17(22)12-23-5-2-18(3-6-23)9-16(24-13-18)8-15-10-19-14-20-11-15/h4,7,10-11,14,16H,2-3,5-6,8-9,12-13H2,1H3.
What are the key properties of 8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 327.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 110138396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).