[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone

C17H19N5O3 — CID 131655494

IUPAC[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone
SMILESCc1ccnc(OC2CCOC3(C2)CN(C(=O)c2ccncn2)C3)n1
InChIInChI=1S/C17H19N5O3/c1-12-2-6-19-16(21-12)25-13-4-7-24-17(8-13)9-22(10-17)15(23)14-3-5-18-11-20-14/h2-3,5-6,11,13H,4,7-10H2,1H3
InChIKeyBLBDQEAXBSQBTR-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.03
Rot. Bonds3

About [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone

[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone (PubChem CID 131655494) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone
PubChem CID131655494
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone
SMILESCc1ccnc(OC2CCOC3(C2)CN(C(=O)c2ccncn2)C3)n1
InChIInChI=1S/C17H19N5O3/c1-12-2-6-19-16(21-12)25-13-4-7-24-17(8-13)9-22(10-17)15(23)14-3-5-18-11-20-14/h2-3,5-6,11,13H,4,7-10H2,1H3
InChIKeyBLBDQEAXBSQBTR-UHFFFAOYSA-N
XLogP1.03
TPSA90.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124893711
(5-methyl-1,2-oxazol-3-yl)-[(8R)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124893710
[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 124893255
(1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124814156
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-2-ylmethanone
CID 131659884
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone
CID 133137075
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 133142484
[(8S)-8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone
CID 124796510
(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-methylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124893679
(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124893559
(5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131649493
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 131644906

Frequently Asked Questions

What is the IUPAC name of [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone (CID 131655494) is [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone is Cc1ccnc(OC2CCOC3(C2)CN(C(=O)c2ccncn2)C3)n1.
What is the InChIKey of [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone?
The InChIKey is BLBDQEAXBSQBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-12-2-6-19-16(21-12)25-13-4-7-24-17(8-13)9-22(10-17)15(23)14-3-5-18-11-20-14/h2-3,5-6,11,13H,4,7-10H2,1H3.
What are the key properties of [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone?
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone has a molecular weight of 341.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 131655494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).