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

C19H25FN4O3 — CID 4031100

IUPAC5-[3-(diethylamino)propyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)CCC/N=C/c1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25FN4O3/c1-3-23(4-2)11-5-10-21-12-16-17(25)22-19(27)24(18(16)26)13-14-6-8-15(20)9-7-14/h6-9,12,26H,3-5,10-11,13H2,1-2H3,(H,22,25,27)/b21-12+
InChIKeyBYQUIFGQEQQNBV-CIAFOILYSA-N
MW376.43 g/mol
LogP1.58
Rot. Bonds9

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

5-[3-(diethylamino)propyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 4031100) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 5-[3-(diethylamino)propyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(diethylamino)propyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID4031100
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name5-[3-(diethylamino)propyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)CCC/N=C/c1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25FN4O3/c1-3-23(4-2)11-5-10-21-12-16-17(25)22-19(27)24(18(16)26)13-14-6-8-15(20)9-7-14/h6-9,12,26H,3-5,10-11,13H2,1-2H3,(H,22,25,27)/b21-12+
InChIKeyBYQUIFGQEQQNBV-CIAFOILYSA-N
XLogP1.58
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.58
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-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[3-(diethylamino)propyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione (CID 4031100) is 5-[3-(diethylamino)propyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(diethylamino)propyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(diethylamino)propyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione is CCN(CC)CCC/N=C/c1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[3-(diethylamino)propyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is BYQUIFGQEQQNBV-CIAFOILYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-3-23(4-2)11-5-10-21-12-16-17(25)22-19(27)24(18(16)26)13-14-6-8-15(20)9-7-14/h6-9,12,26H,3-5,10-11,13H2,1-2H3,(H,22,25,27)/b21-12+.
What are the key properties of 5-[3-(diethylamino)propyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione?
5-[3-(diethylamino)propyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 376.43 g/mol, XLogP of 1.58, 9 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-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 4031100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).