8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H27N5O3 — CID 72933500

IUPAC8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCCc1cc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)nc(N(C)C)n1
InChIInChI=1S/C18H27N5O3/c1-5-12-10-14(20-17(19-12)21(2)3)23-8-6-18(7-9-23)13(16(25)26)11-15(24)22(18)4/h10,13H,5-9,11H2,1-4H3,(H,25,26)
InChIKeyLASVHLCYFUMUKY-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.01
Rot. Bonds4

About 8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72933500) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72933500
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCCc1cc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)nc(N(C)C)n1
InChIInChI=1S/C18H27N5O3/c1-5-12-10-14(20-17(19-12)21(2)3)23-8-6-18(7-9-23)13(16(25)26)11-15(24)22(18)4/h10,13H,5-9,11H2,1-4H3,(H,25,26)
InChIKeyLASVHLCYFUMUKY-UHFFFAOYSA-N
XLogP1.01
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

(4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97202971
(4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204991
8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72882839
1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 122557880
8-[2-(dimethylamino)benzoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72841504
(6S)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97128030
(6R)-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100904569
(4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97197077
(4R)-8-(1H-imidazol-2-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97150923
8-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72905495
(4R)-1-methyl-8-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204698
(4S)-8-(3-chloro-2-pyridinyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97194960

Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72933500) is 8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CCc1cc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)nc(N(C)C)n1.
What is the InChIKey of 8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is LASVHLCYFUMUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-5-12-10-14(20-17(19-12)21(2)3)23-8-6-18(7-9-23)13(16(25)26)11-15(24)22(18)4/h10,13H,5-9,11H2,1-4H3,(H,25,26).
What are the key properties of 8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 361.45 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72933500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).