1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione

C18H24N4O3 — CID 2839905

IUPAC1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)CC/N=C/c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O3/c1-3-21(4-2)11-10-19-12-15-16(23)20-18(25)22(17(15)24)13-14-8-6-5-7-9-14/h5-9,12,24H,3-4,10-11,13H2,1-2H3,(H,20,23,25)/b19-12+
InChIKeyFVMSPBCIZLTLEU-XDHOZWIPSA-N
MW344.41 g/mol
LogP1.05
Rot. Bonds8

About 1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione

1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 2839905) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID2839905
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)CC/N=C/c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O3/c1-3-21(4-2)11-10-19-12-15-16(23)20-18(25)22(17(15)24)13-14-8-6-5-7-9-14/h5-9,12,24H,3-4,10-11,13H2,1-2H3,(H,20,23,25)/b19-12+
InChIKeyFVMSPBCIZLTLEU-XDHOZWIPSA-N
XLogP1.05
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.05
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

6-Amino-5-benzylamino-1-butyl-1H-pyrimidine-2,4-dione
CID 2341173
1-Benzyl-5-[1-(2-dimethylamino-ethylamino)-eth-(E)-ylidene]-pyrimidine-2,4,6-trione
CID 935858
(5E)-5-[(cyclopropylamino)methylidene]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione
CID 1400820
(5E)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
CID 1419521
(5E)-6-hydroxy-3-(3-methylphenyl)-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1947637
(5Z)-1-cyclopropyl-5-{[(1-phenylethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
CID 3649150
1,3-Dimethyl-5-(1-phenethylamino-ethylidene)-pyrimidine-2,4,6-trione
CID 3781895
(5E)-3-(4-fluorobenzyl)-6-hydroxy-5-{[(4-methylpiperazin-1-yl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
CID 135485079
5-Azanyl-6-Oxidanyl-1-(Phenylmethyl)pyrimidine-2,4-Dione
CID 909874
(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
1,3-Dimethyl-5-[1-(1-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione
CID 662766

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 2839905) is 1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione is CCN(CC)CC/N=C/c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is FVMSPBCIZLTLEU-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-21(4-2)11-10-19-12-15-16(23)20-18(25)22(17(15)24)13-14-8-6-5-7-9-14/h5-9,12,24H,3-4,10-11,13H2,1-2H3,(H,20,23,25)/b19-12+.
What are the key properties of 1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 344.41 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 2839905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).