6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione

C13H14FN3O2 — CID 2826426

IUPAC6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NCc2ccc(F)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H14FN3O2/c1-16-11(7-12(18)17(2)13(16)19)15-8-9-3-5-10(14)6-4-9/h3-7,15H,8H2,1-2H3
InChIKeyOWHCPKJLQKPLJX-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.84
Rot. Bonds3

About 6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione

6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2826426) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2826426
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NCc2ccc(F)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H14FN3O2/c1-16-11(7-12(18)17(2)13(16)19)15-8-9-3-5-10(14)6-4-9/h3-7,15H,8H2,1-2H3
InChIKeyOWHCPKJLQKPLJX-UHFFFAOYSA-N
XLogP0.84
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione (CID 2826426) is 6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(NCc2ccc(F)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OWHCPKJLQKPLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-16-11(7-12(18)17(2)13(16)19)15-8-9-3-5-10(14)6-4-9/h3-7,15H,8H2,1-2H3.
What are the key properties of 6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione?
6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 263.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2826426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).