7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane

C14H21N3O — CID 133472365

IUPAC7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCCc1cc(N2CCC3(CCOC3)C2)nc(C)n1
InChIInChI=1S/C14H21N3O/c1-3-12-8-13(16-11(2)15-12)17-6-4-14(9-17)5-7-18-10-14/h8H,3-7,9-10H2,1-2H3
InChIKeyKZCGTBNEFUKBNC-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.96
Rot. Bonds2

About 7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane

7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 133472365) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
PubChem CID133472365
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCCc1cc(N2CCC3(CCOC3)C2)nc(C)n1
InChIInChI=1S/C14H21N3O/c1-3-12-8-13(16-11(2)15-12)17-6-4-14(9-17)5-7-18-10-14/h8H,3-7,9-10H2,1-2H3
InChIKeyKZCGTBNEFUKBNC-UHFFFAOYSA-N
XLogP1.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71971617
2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene
CID 133460813
1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983097
7-(2-propylquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133412371
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202
7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133472363
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133461297
(3R)-2-(cyclopropanecarbonyl)-8-(6-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95715929
(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482942
(4aS,8aS)-2-ethyl-7-(6-ethyl-2-methylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-4a-ol
CID 72864387
8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
CID 167743997
4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154882608

Frequently Asked Questions

What is the IUPAC name of 7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane (CID 133472365) is 7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane is CCc1cc(N2CCC3(CCOC3)C2)nc(C)n1.
What is the InChIKey of 7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is KZCGTBNEFUKBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-12-8-13(16-11(2)15-12)17-6-4-14(9-17)5-7-18-10-14/h8H,3-7,9-10H2,1-2H3.
What are the key properties of 7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 247.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 133472365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).