(6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone

C15H21N3O3 — CID 136564099

IUPAC(6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC3(CCOCC3)C2)ncn1
InChIInChI=1S/C15H21N3O3/c1-20-13-9-12(16-11-17-13)14(19)18-6-2-3-15(10-18)4-7-21-8-5-15/h9,11H,2-8,10H2,1H3
InChIKeyHXVURXWBUZVCDQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.52
Rot. Bonds2

About (6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone

(6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone (PubChem CID 136564099) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
PubChem CID136564099
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC3(CCOCC3)C2)ncn1
InChIInChI=1S/C15H21N3O3/c1-20-13-9-12(16-11-17-13)14(19)18-6-2-3-15(10-18)4-7-21-8-5-15/h9,11H,2-8,10H2,1H3
InChIKeyHXVURXWBUZVCDQ-UHFFFAOYSA-N
XLogP1.52
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
CID 138023342
(6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone
CID 136564429
1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97415473
[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 131662967
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 139001308
2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone
CID 71873411
(5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 166265700
6-methoxypyrimidine-4-carboxylic acid
CID 3300297
azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109343493
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128694848
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97110759
(6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 121167441

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of (6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone (CID 136564099) is (6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone is COc1cc(C(=O)N2CCCC3(CCOCC3)C2)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is HXVURXWBUZVCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-20-13-9-12(16-11-17-13)14(19)18-6-2-3-15(10-18)4-7-21-8-5-15/h9,11H,2-8,10H2,1H3.
What are the key properties of (6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone?
(6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 136564099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).