5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione

C19H20N4O3 — CID 658998

IUPAC5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
SMILESCN(C)CC/N=C/c1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C19H20N4O3/c1-22(2)11-10-20-12-15-17(24)21-19(26)23(18(15)25)16-9-5-7-13-6-3-4-8-14(13)16/h3-9,12,25H,10-11H2,1-2H3,(H,21,24,26)/b20-12+
InChIKeyPWCCTEWAGZIONJ-UDWIEESQSA-N
MW352.39 g/mol
LogP1.37
Rot. Bonds5

About 5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione

5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione (PubChem CID 658998) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
PubChem CID658998
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
SMILESCN(C)CC/N=C/c1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C19H20N4O3/c1-22(2)11-10-20-12-15-17(24)21-19(26)23(18(15)25)16-9-5-7-13-6-3-4-8-14(13)16/h3-9,12,25H,10-11H2,1-2H3,(H,21,24,26)/b20-12+
InChIKeyPWCCTEWAGZIONJ-UDWIEESQSA-N
XLogP1.37
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5E)-6-hydroxy-3-(3-methylphenyl)-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1947637
(5E)-1-(4-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135469945
(5Z)-5-(1H-indol-3-ylmethylidene)-1-(naphthalen-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135438774
(5Z)-5-(1H-indol-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
5-[[4-(Diethylamino)anilino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 659624
5-[3-(Diethylamino)propyliminomethyl]-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 665243
(5E)-5-{[(2-aminophenyl)amino]methylidene}-3-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1414869
(5Z)-5-({[2-(diethylamino)ethyl]amino}methylidene)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1607570
5-[[4-(Diethylamino)anilino]methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
CID 3368525
(5E)-5-[[4-(4-acetylpiperazin-1-yl)anilino]methylidene]-1-benzyl-1,3-diazinane-2,4,6-trione
CID 4394541
6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(2-phenylphenyl)pyrimidine-2,4-dione
CID 136152923
(5E)-1-(3-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135458290

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione?
The IUPAC name of 5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione (CID 658998) is 5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione is CN(C)CC/N=C/c1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione?
The InChIKey is PWCCTEWAGZIONJ-UDWIEESQSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-22(2)11-10-20-12-15-17(24)21-19(26)23(18(15)25)16-9-5-7-13-6-3-4-8-14(13)16/h3-9,12,25H,10-11H2,1-2H3,(H,21,24,26)/b20-12+.
What are the key properties of 5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione?
5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione has a molecular weight of 352.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 658998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).