2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene

C17H25N3 — CID 133460813

IUPAC2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene
SMILESCCc1cc(N2CCCC3(CC=CCC3)C2)nc(C)n1
InChIInChI=1S/C17H25N3/c1-3-15-12-16(19-14(2)18-15)20-11-7-10-17(13-20)8-5-4-6-9-17/h4-5,12H,3,6-11,13H2,1-2H3
InChIKeyYMTJKFBVCALIQA-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.67
Rot. Bonds2

About 2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene

2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene (PubChem CID 133460813) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene
PubChem CID133460813
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene
SMILESCCc1cc(N2CCCC3(CC=CCC3)C2)nc(C)n1
InChIInChI=1S/C17H25N3/c1-3-15-12-16(19-14(2)18-15)20-11-7-10-17(13-20)8-5-4-6-9-17/h4-5,12H,3,6-11,13H2,1-2H3
InChIKeyYMTJKFBVCALIQA-UHFFFAOYSA-N
XLogP3.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene
CID 133483282
7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133472365
(6R)-8-(6-ethyl-2-methylpyrimidin-4-yl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97121302
1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983097
4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154882608
(6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95880852
(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 178044915
[(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 100909966
(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
4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 163344141
1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 115871308

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene?
The IUPAC name of 2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene (CID 133460813) is 2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene.
What is the SMILES notation for 2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene?
The canonical SMILES for 2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene is CCc1cc(N2CCCC3(CC=CCC3)C2)nc(C)n1.
What is the InChIKey of 2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene?
The InChIKey is YMTJKFBVCALIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-15-12-16(19-14(2)18-15)20-11-7-10-17(13-20)8-5-4-6-9-17/h4-5,12H,3,6-11,13H2,1-2H3.
What are the key properties of 2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene?
2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene has a molecular weight of 271.41 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene is sourced from PubChem (CID 133460813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).