1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide

C17H27N5O3 — CID 171536650

IUPAC1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1c(O)n(CCCC)c(=O)n(C2CCC3(CC2)CNC3)c1=O
InChIInChI=1S/C17H27N5O3/c1-2-3-8-21-14(23)12(13(18)19)15(24)22(16(21)25)11-4-6-17(7-5-11)9-20-10-17/h11,20,23H,2-10H2,1H3,(H3,18,19)
InChIKeyXRJYDOXSXOXLFT-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.50
Rot. Bonds5

About 1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide

1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide (PubChem CID 171536650) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide.

Molecular Properties

Compound Name1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
PubChem CID171536650
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1c(O)n(CCCC)c(=O)n(C2CCC3(CC2)CNC3)c1=O
InChIInChI=1S/C17H27N5O3/c1-2-3-8-21-14(23)12(13(18)19)15(24)22(16(21)25)11-4-6-17(7-5-11)9-20-10-17/h11,20,23H,2-10H2,1H3,(H3,18,19)
InChIKeyXRJYDOXSXOXLFT-UHFFFAOYSA-N
XLogP0.50
TPSA126.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-butyl-6-hydroxy-3-[2-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)spiro[3.5]nonan-7-yl]-2,4-dioxopyrimidine-5-carboximidamide
CID 171536769
1-butyl-6-hydroxy-3-[4-(hydroxymethyl)-4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclohexyl]-2,4-dioxopyrimidine-5-carboximidamide
CID 171536515
1-[2-(3-benzoyl-5-methyl-2,4-dioxopyrimidin-1-yl)spiro[3.5]nonan-7-yl]-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
CID 171536784
1-[4-[[(2S,3S)-2-(2-aminoethyl)oxetan-3-yl]amino]cyclohexyl]-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
CID 171536740
benzyl N-[[7-(3-butyl-5-carbamimidoyl-4-hydroxy-2,6-dioxopyrimidin-1-yl)-2-(methoxymethyl)spiro[3.5]nonan-2-yl]methyl]carbamate
CID 171536797
tert-butyl N-[2-[[(2S,3S)-2-[4-(3-butyl-5-carbamimidoyl-4-hydroxy-2,6-dioxopyrimidin-1-yl)cyclohexyl]oxetan-3-yl]amino]ethyl]carbamate
CID 176914249
1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
CID 598906
1-(1,3-benzodioxol-5-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
CID 135476496
1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide
CID 135448167
3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione
CID 69443416
2-oxo-1-pentylpyridine-3-carboximidamide
CID 82526707
(6R)-2-butyl-1,6-dihydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one
CID 10512718

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide?
The IUPAC name of 1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide (CID 171536650) is 1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide.
What is the SMILES notation for 1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide?
The canonical SMILES for 1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide is [H]/N=C(\N)c1c(O)n(CCCC)c(=O)n(C2CCC3(CC2)CNC3)c1=O.
What is the InChIKey of 1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide?
The InChIKey is XRJYDOXSXOXLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-2-3-8-21-14(23)12(13(18)19)15(24)22(16(21)25)11-4-6-17(7-5-11)9-20-10-17/h11,20,23H,2-10H2,1H3,(H3,18,19).
What are the key properties of 1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide?
1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide has a molecular weight of 349.44 g/mol, XLogP of 0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[3.5]nonan-7-yl)-3-butyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide is sourced from PubChem (CID 171536650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).