5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione

C19H26N4O4 — CID 3439445

IUPAC5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione
SMILESCCN(CC)CCC/N=C/c1c(O)n(-c2ccccc2OC)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-4-22(5-2)12-8-11-20-13-14-17(24)21-19(26)23(18(14)25)15-9-6-7-10-16(15)27-3/h6-7,9-10,13,25H,4-5,8,11-12H2,1-3H3,(H,21,24,26)/b20-13+
InChIKeyYRAFMTPWBSTEDX-DEDYPNTBSA-N
MW374.44 g/mol
LogP1.39
Rot. Bonds9

About 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione

5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 3439445) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID3439445
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione
SMILESCCN(CC)CCC/N=C/c1c(O)n(-c2ccccc2OC)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-4-22(5-2)12-8-11-20-13-14-17(24)21-19(26)23(18(14)25)15-9-6-7-10-16(15)27-3/h6-7,9-10,13,25H,4-5,8,11-12H2,1-3H3,(H,21,24,26)/b20-13+
InChIKeyYRAFMTPWBSTEDX-DEDYPNTBSA-N
XLogP1.39
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-5-(3-hydroxypropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 2185365
5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
CID 3547283
6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 3262107
5-[3-(diethylamino)propyliminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 3258723
6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione
CID 137073220
6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 1377896
5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 3703645
4-[3-(diethylamino)propyliminomethyl]-3-hydroxy-2-phenylisoquinolin-1-one
CID 4898683
1-(4-fluorophenyl)-6-hydroxy-5-(octyliminomethyl)pyrimidine-2,4-dione
CID 3718900
5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(2-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 1397468
N-[(E)-[6-hydroxy-1-(2-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide
CID 135716465
1-(2-fluorophenyl)-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
CID 3377859

Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione (CID 3439445) is 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione is CCN(CC)CCC/N=C/c1c(O)n(-c2ccccc2OC)c(=O)[nH]c1=O.
What is the InChIKey of 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is YRAFMTPWBSTEDX-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-4-22(5-2)12-8-11-20-13-14-17(24)21-19(26)23(18(14)25)15-9-6-7-10-16(15)27-3/h6-7,9-10,13,25H,4-5,8,11-12H2,1-3H3,(H,21,24,26)/b20-13+.
What are the key properties of 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione?
5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3439445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).