5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione

C20H22N4O4 — CID 3741391

IUPAC5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(/N=C/c2c(O)n(Cc3ccco3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H22N4O4/c1-3-23(4-2)15-9-7-14(8-10-15)21-12-17-18(25)22-20(27)24(19(17)26)13-16-6-5-11-28-16/h5-12,26H,3-4,13H2,1-2H3,(H,22,25,27)/b21-12+
InChIKeyBRDKUNXWGXDCLA-CIAFOILYSA-N
MW382.42 g/mol
LogP2.48
Rot. Bonds7

About 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione

5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 3741391) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID3741391
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(/N=C/c2c(O)n(Cc3ccco3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H22N4O4/c1-3-23(4-2)15-9-7-14(8-10-15)21-12-17-18(25)22-20(27)24(19(17)26)13-16-6-5-11-28-16/h5-12,26H,3-4,13H2,1-2H3,(H,22,25,27)/b21-12+
InChIKeyBRDKUNXWGXDCLA-CIAFOILYSA-N
XLogP2.48
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137045248
1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-phenoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137144727
5-(ethyliminomethyl)-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 137144670
1-(furan-2-ylmethyl)-6-hydroxy-5-[(2-propan-2-ylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 3593135
5-[(5-chloro-2-methylphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 137144724
5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 4992665
1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione
CID 4302922
4-[[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]methyl]benzoic acid
CID 137144723
1-(furan-2-ylmethyl)-6-hydroxy-5-[[(2R)-oxolan-2-yl]methyliminomethyl]pyrimidine-2,4-dione
CID 135895118
N-[(Z)-[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 137289257
5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 3716340
5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 3750576

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione (CID 3741391) is 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione is CCN(CC)c1ccc(/N=C/c2c(O)n(Cc3ccco3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is BRDKUNXWGXDCLA-CIAFOILYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-3-23(4-2)15-9-7-14(8-10-15)21-12-17-18(25)22-20(27)24(19(17)26)13-16-6-5-11-28-16/h5-12,26H,3-4,13H2,1-2H3,(H,22,25,27)/b21-12+.
What are the key properties of 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione?
5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 382.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3741391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).