5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

C18H23FN4O3 — CID 4269697

IUPAC5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)CCC/N=C/c1c(O)n(-c2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C18H23FN4O3/c1-3-22(4-2)11-7-10-20-12-13-16(24)21-18(26)23(17(13)25)15-9-6-5-8-14(15)19/h5-6,8-9,12,25H,3-4,7,10-11H2,1-2H3,(H,21,24,26)/b20-12+
InChIKeyIEOREJYXXWWWIX-UDWIEESQSA-N
MW362.41 g/mol
LogP1.52
Rot. Bonds8

About 5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 4269697) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID4269697
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)CCC/N=C/c1c(O)n(-c2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C18H23FN4O3/c1-3-22(4-2)11-7-10-20-12-13-16(24)21-18(26)23(17(13)25)15-9-6-5-8-14(15)19/h5-6,8-9,12,25H,3-4,7,10-11H2,1-2H3,(H,21,24,26)/b20-12+
InChIKeyIEOREJYXXWWWIX-UDWIEESQSA-N
XLogP1.52
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (CID 4269697) is 5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is CCN(CC)CCC/N=C/c1c(O)n(-c2ccccc2F)c(=O)[nH]c1=O.
What is the InChIKey of 5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is IEOREJYXXWWWIX-UDWIEESQSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-3-22(4-2)11-7-10-20-12-13-16(24)21-18(26)23(17(13)25)15-9-6-5-8-14(15)19/h5-6,8-9,12,25H,3-4,7,10-11H2,1-2H3,(H,21,24,26)/b20-12+.
What are the key properties of 5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 362.41 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)propyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 4269697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).