3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione

C20H23N3O3 — CID 128668051

IUPAC3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(C(=O)N2CC3(CCCCC3)C2c2ccccc2)c1=O
InChIInChI=1S/C20H23N3O3/c1-22-17(24)15(12-21-19(22)26)18(25)23-13-20(10-6-3-7-11-20)16(23)14-8-4-2-5-9-14/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,21,26)
InChIKeyVONHAJUTDVYCPM-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.22
Rot. Bonds2

About 3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione

3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 128668051) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID128668051
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(C(=O)N2CC3(CCCCC3)C2c2ccccc2)c1=O
InChIInChI=1S/C20H23N3O3/c1-22-17(24)15(12-21-19(22)26)18(25)23-13-20(10-6-3-7-11-20)16(23)14-8-4-2-5-9-14/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,21,26)
InChIKeyVONHAJUTDVYCPM-UHFFFAOYSA-N
XLogP2.22
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one
CID 128658185
(1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone
CID 129347762
1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone
CID 128658219
(3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone
CID 129348005
4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid
CID 122021796
5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 71778343
N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025213
(3S)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.3]heptane-2-carboxamide
CID 129347242
2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol
CID 146100093
4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one
CID 139004422
3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide
CID 95366506
3-methyl-2,4-dioxo-N-(1-phenylethyl)-1H-pyrimidine-5-carboxamide
CID 56766080

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione (CID 128668051) is 3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(C(=O)N2CC3(CCCCC3)C2c2ccccc2)c1=O.
What is the InChIKey of 3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is VONHAJUTDVYCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22-17(24)15(12-21-19(22)26)18(25)23-13-20(10-6-3-7-11-20)16(23)14-8-4-2-5-9-14/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,21,26).
What are the key properties of 3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione?
3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 353.42 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 128668051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).