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

C19H26N4O4 — CID 3703645

IUPAC5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCN(CC)CC/N=C/c1c(O)n(Cc2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-4-22(5-2)11-10-20-12-16-17(24)21-19(26)23(18(16)25)13-14-6-8-15(27-3)9-7-14/h6-9,12,25H,4-5,10-11,13H2,1-3H3,(H,21,24,26)/b20-12+
InChIKeyOTKIZTWGRGKTPY-UDWIEESQSA-N
MW374.44 g/mol
LogP1.06
Rot. Bonds9

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

5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 3703645) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID3703645
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCCN(CC)CC/N=C/c1c(O)n(Cc2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-4-22(5-2)11-10-20-12-16-17(24)21-19(26)23(18(16)25)13-14-6-8-15(27-3)9-7-14/h6-9,12,25H,4-5,10-11,13H2,1-3H3,(H,21,24,26)/b20-12+
InChIKeyOTKIZTWGRGKTPY-UDWIEESQSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-Ethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 659160
(5Z)-6-hydroxy-3-(4-methoxybenzyl)-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1923648
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(2-methylpropyl)acetamide
CID 2998952
5-[3-(Diethylamino)propyliminomethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 3746828
N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8760938
6-(4-methoxybenzyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 757418
(5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-{[(3-hydroxypropyl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
CID 1625521
(5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(4-methoxybenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 3459283
N-(4-methoxybenzyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 45280792
2,6-dihydroxy-3-(4-propoxybenzyl)pyrimidin-4(3H)-one
CID 659070
2,6-dihydroxy-3-(4-methoxybenzyl)pyrimidin-4(3H)-one
CID 659296
(5Z)-5-[(cyclopropylamino)methylidene]-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1397700

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 3703645) is 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is CCN(CC)CC/N=C/c1c(O)n(Cc2ccc(OC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is OTKIZTWGRGKTPY-UDWIEESQSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-4-22(5-2)11-10-20-12-16-17(24)21-19(26)23(18(16)25)13-14-6-8-15(27-3)9-7-14/h6-9,12,25H,4-5,10-11,13H2,1-3H3,(H,21,24,26)/b20-12+.
What are the key properties of 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3703645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).