5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one

C20H23N3O2 — CID 70768057

IUPAC5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2ncc(C(=O)N3CCC4(CCCC4)C3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H23N3O2/c1-14-4-6-15(7-5-14)17-21-12-16(18(24)22-17)19(25)23-11-10-20(13-23)8-2-3-9-20/h4-7,12H,2-3,8-11,13H2,1H3,(H,21,22,24)
InChIKeyOLQLLCGUQHQOCZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.15
Rot. Bonds2

About 5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one

5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 70768057) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one
PubChem CID70768057
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2ncc(C(=O)N3CCC4(CCCC4)C3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H23N3O2/c1-14-4-6-15(7-5-14)17-21-12-16(18(24)22-17)19(25)23-11-10-20(13-23)8-2-3-9-20/h4-7,12H,2-3,8-11,13H2,1H3,(H,21,22,24)
InChIKeyOLQLLCGUQHQOCZ-UHFFFAOYSA-N
XLogP3.15
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one
CID 70724691
2-(4-methylphenyl)-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97141903
2-phenyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 92648674
5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
CID 92648681
5-[(3R)-3-(3-methoxypropyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one
CID 97137870
ethyl 4-(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 92648692
1'-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108809648
2-azaspiro[4.5]decan-2-yl-(5-methylpyrazin-2-yl)methanone
CID 71999151
5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one
CID 70738062
2-(4-methylphenyl)-6-oxo-N-[(3S)-piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 72898424
5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
CID 92648682
2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 56742818

Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one (CID 70768057) is 5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one is Cc1ccc(-c2ncc(C(=O)N3CCC4(CCCC4)C3)c(=O)[nH]2)cc1.
What is the InChIKey of 5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is OLQLLCGUQHQOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-4-6-15(7-5-14)17-21-12-16(18(24)22-17)19(25)23-11-10-20(13-23)8-2-3-9-20/h4-7,12H,2-3,8-11,13H2,1H3,(H,21,22,24).
What are the key properties of 5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one?
5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 337.42 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[4.4]nonane-2-carbonyl)-2-(4-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 70768057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).