5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C19H24N4O3 — CID 662508

IUPAC5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC/C(=N\C1CCN(Cc2ccccc2)CC1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c1-2-15(16-17(24)21-19(26)22-18(16)25)20-14-8-10-23(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H3,21,22,24,25,26)/b20-15+
InChIKeyVUNBXIBYRIOPNO-HMMYKYKNSA-N
MW356.43 g/mol
LogP1.63
Rot. Bonds5

About 5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 662508) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID662508
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC/C(=N\C1CCN(Cc2ccccc2)CC1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c1-2-15(16-17(24)21-19(26)22-18(16)25)20-14-8-10-23(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H3,21,22,24,25,26)/b20-15+
InChIKeyVUNBXIBYRIOPNO-HMMYKYKNSA-N
XLogP1.63
TPSA101.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-5-[1-(2-dimethylamino-ethylamino)-eth-(E)-ylidene]-pyrimidine-2,4,6-trione
CID 935858
5-(1-Phenethylamino-propylidene)-pyrimidine-2,4,6-trione
CID 1398862
(5E)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
CID 1419521
1-benzyl-5-({[2-(diethylamino)ethyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2839905
5-[1-(1-Phenyl-ethylamino)-propylidene]-pyrimidine-2,4,6-trione
CID 3733249
1,3-Dimethyl-5-(1-phenethylamino-ethylidene)-pyrimidine-2,4,6-trione
CID 3781895
(5E)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-2,6-dihydroxypyrimidin-4(5H)-one
CID 659681
5-(1-((4-fluorobenzyl)amino)ethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 662520
1,3-Dimethyl-5-[1-(1-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione
CID 662766
(5Z)-3-butyl-6-hydroxy-5-{1-[(1-phenylethyl)amino]ethylidene}pyrimidine-2,4(3H,5H)-dione
CID 662935
5-(1-((1-benzylpiperidin-4-yl)amino)ethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 663093
2-(4-benzylpiperazin-1-yl)-5-butyl-6-hydroxypyrimidin-4(3H)-one
CID 666885

Frequently Asked Questions

What is the IUPAC name of 5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 662508) is 5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione is CC/C(=N\C1CCN(Cc2ccccc2)CC1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is VUNBXIBYRIOPNO-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-15(16-17(24)21-19(26)22-18(16)25)20-14-8-10-23(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H3,21,22,24,25,26)/b20-15+.
What are the key properties of 5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(1-benzylpiperidin-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 662508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).