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

C17H23N5O — CID 134071181

IUPAC8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCn1ccnc1CN1CCC2(CC1)CC(c1cncnc1)CO2
InChIInChI=1S/C17H23N5O/c1-21-7-4-20-16(21)11-22-5-2-17(3-6-22)8-14(12-23-17)15-9-18-13-19-10-15/h4,7,9-10,13-14H,2-3,5-6,8,11-12H2,1H3
InChIKeyAOJFZFYVCANZEY-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.75
Rot. Bonds3

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

8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 134071181) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID134071181
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCn1ccnc1CN1CCC2(CC1)CC(c1cncnc1)CO2
InChIInChI=1S/C17H23N5O/c1-21-7-4-20-16(21)11-22-5-2-17(3-6-22)8-14(12-23-17)15-9-18-13-19-10-15/h4,7,9-10,13-14H,2-3,5-6,8,11-12H2,1H3
InChIKeyAOJFZFYVCANZEY-UHFFFAOYSA-N
XLogP1.75
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(2-methoxyethyl)-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97394779
8-[(1,5-dimethylpyrazol-3-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
CID 131659634
(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-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 110138396
8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449880
(3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488035
N-methyl-7-[(1-methylimidazol-2-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131662354
(3S,5R)-7-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 124520516
7-[(1-methylimidazol-2-yl)methyl]-N-phenyl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076701
8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118745893
8-[(1-methylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155837965
8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118746332

Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane (CID 134071181) is 8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane is Cn1ccnc1CN1CCC2(CC1)CC(c1cncnc1)CO2.
What is the InChIKey of 8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is AOJFZFYVCANZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21-7-4-20-16(21)11-22-5-2-17(3-6-22)8-14(12-23-17)15-9-18-13-19-10-15/h4,7,9-10,13-14H,2-3,5-6,8,11-12H2,1H3.
What are the key properties of 8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane?
8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 313.40 g/mol, XLogP of 1.75, 3 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-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 134071181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).