6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione

C17H14FN3O2 — CID 2822870

IUPAC6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O2/c18-13-6-8-14(9-7-13)21-15(19)10-16(22)20(17(21)23)11-12-4-2-1-3-5-12/h1-10H,11,19H2
InChIKeyVMDOWPFJFJYLNO-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.77
Rot. Bonds3

About 6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione

6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione (PubChem CID 2822870) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione
PubChem CID2822870
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O2/c18-13-6-8-14(9-7-13)21-15(19)10-16(22)20(17(21)23)11-12-4-2-1-3-5-12/h1-10H,11,19H2
InChIKeyVMDOWPFJFJYLNO-UHFFFAOYSA-N
XLogP1.77
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione (CID 2822870) is 6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione is Nc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione?
The InChIKey is VMDOWPFJFJYLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-13-6-8-14(9-7-13)21-15(19)10-16(22)20(17(21)23)11-12-4-2-1-3-5-12/h1-10H,11,19H2.
What are the key properties of 6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione?
6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione has a molecular weight of 311.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-benzyl-1-(4-fluorophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2822870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).