5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C20H26N4O3 — CID 663093

IUPAC5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=N\C1CCN(Cc2ccccc2)CC1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C20H26N4O3/c1-14(17-18(25)22(2)20(27)23(3)19(17)26)21-16-9-11-24(12-10-16)13-15-7-5-4-6-8-15/h4-8,16,25H,9-13H2,1-3H3/b21-14+
InChIKeyDUCIYDZZVKWDRS-KGENOOAVSA-N
MW370.45 g/mol
LogP1.26
Rot. Bonds4

About 5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 663093) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID663093
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=N\C1CCN(Cc2ccccc2)CC1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C20H26N4O3/c1-14(17-18(25)22(2)20(27)23(3)19(17)26)21-16-9-11-24(12-10-16)13-15-7-5-4-6-8-15/h4-8,16,25H,9-13H2,1-3H3/b21-14+
InChIKeyDUCIYDZZVKWDRS-KGENOOAVSA-N
XLogP1.26
TPSA79.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
(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
5-[{[5-(diethylamino)pentan-2-yl]amino}(phenyl)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 657683
(5E)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-2,6-dihydroxypyrimidin-4(5H)-one
CID 659681
5-(1-((1-benzylpiperidin-4-yl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 662508
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
(5E)-1-allyl-5-[1-(phenethylamino)ethylidene]barbituric acid
CID 1388988

Frequently Asked Questions

What is the IUPAC name of 5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 663093) is 5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is C/C(=N\C1CCN(Cc2ccccc2)CC1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is DUCIYDZZVKWDRS-KGENOOAVSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(17-18(25)22(2)20(27)23(3)19(17)26)21-16-9-11-24(12-10-16)13-15-7-5-4-6-8-15/h4-8,16,25H,9-13H2,1-3H3/b21-14+.
What are the key properties of 5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 370.45 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(1-benzylpiperidin-4-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 663093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).