5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one

C12H11BrFN3O — CID 136955963

IUPAC5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCc2ccccc2F)c1Br
InChIInChI=1S/C12H11BrFN3O/c13-10-11(16-7-17-12(10)18)15-6-5-8-3-1-2-4-9(8)14/h1-4,7H,5-6H2,(H2,15,16,17,18)
InChIKeyBILYJELPSAFXQW-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.33
Rot. Bonds4

About 5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one

5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136955963) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136955963
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCc2ccccc2F)c1Br
InChIInChI=1S/C12H11BrFN3O/c13-10-11(16-7-17-12(10)18)15-6-5-8-3-1-2-4-9(8)14/h1-4,7H,5-6H2,(H2,15,16,17,18)
InChIKeyBILYJELPSAFXQW-UHFFFAOYSA-N
XLogP2.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminobutylamino)-5-bromo-1H-pyrimidin-6-one
CID 136973374
5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
5-bromo-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842343
5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136956563
5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136887855
5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 136956545
5-bromo-4-(3-methylsulfonylpropylamino)-1H-pyrimidin-6-one
CID 136956238
5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine
CID 106537294
5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106795925
5-bromo-4-[3-(2-chloroethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730520
5-bromo-4-[2-(3-hydroxypropylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136730533
6-bromo-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63963216

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one (CID 136955963) is 5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCc2ccccc2F)c1Br.
What is the InChIKey of 5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is BILYJELPSAFXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c13-10-11(16-7-17-12(10)18)15-6-5-8-3-1-2-4-9(8)14/h1-4,7H,5-6H2,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one?
5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 312.14 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136955963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).