1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione

C20H14FN3O3 — CID 1356682

IUPAC1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1C=C1C=Nc2ccccc21
InChIInChI=1S/C20H14FN3O3/c21-14-7-5-12(6-8-14)11-24-19(26)16(18(25)23-20(24)27)9-13-10-22-17-4-2-1-3-15(13)17/h1-10,26H,11H2,(H,23,25,27)
InChIKeyKGNPLWWHAHSLHZ-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.69
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione

1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione (PubChem CID 1356682) has the molecular formula C20H14FN3O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
PubChem CID1356682
Molecular FormulaC20H14FN3O3
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1C=C1C=Nc2ccccc21
InChIInChI=1S/C20H14FN3O3/c21-14-7-5-12(6-8-14)11-24-19(26)16(18(25)23-20(24)27)9-13-10-22-17-4-2-1-3-15(13)17/h1-10,26H,11H2,(H,23,25,27)
InChIKeyKGNPLWWHAHSLHZ-UHFFFAOYSA-N
XLogP2.69
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione (CID 1356682) is 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1C=C1C=Nc2ccccc21.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
The InChIKey is KGNPLWWHAHSLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3/c21-14-7-5-12(6-8-14)11-24-19(26)16(18(25)23-20(24)27)9-13-10-22-17-4-2-1-3-15(13)17/h1-10,26H,11H2,(H,23,25,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione?
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione has a molecular weight of 363.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 1356682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).