6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione

C12H12FN3O2 — CID 146025747

IUPAC6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCCc2ccc(F)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C12H12FN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)
InChIKeyTULRDDRMFMKCDF-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.86
Rot. Bonds4

About 6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione

6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione (PubChem CID 146025747) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione
PubChem CID146025747
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCCc2ccc(F)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C12H12FN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)
InChIKeyTULRDDRMFMKCDF-UHFFFAOYSA-N
XLogP0.86
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione (CID 146025747) is 6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione is O=c1cc(NCCc2ccc(F)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The InChIKey is TULRDDRMFMKCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18).
What are the key properties of 6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione?
6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione has a molecular weight of 249.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)ethylamino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146025747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).