5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine

C12H11BrFN3 — CID 66298635

IUPAC5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine
SMILESCCc1nc(-c2ccc(F)cc2)nc(N)c1Br
InChIInChI=1S/C12H11BrFN3/c1-2-9-10(13)11(15)17-12(16-9)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeySPCHKVFWCGSORD-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.19
Rot. Bonds2

About 5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine

5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine (PubChem CID 66298635) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine
PubChem CID66298635
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine
SMILESCCc1nc(-c2ccc(F)cc2)nc(N)c1Br
InChIInChI=1S/C12H11BrFN3/c1-2-9-10(13)11(15)17-12(16-9)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeySPCHKVFWCGSORD-UHFFFAOYSA-N
XLogP3.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine (CID 66298635) is 5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine is CCc1nc(-c2ccc(F)cc2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine?
The InChIKey is SPCHKVFWCGSORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-2-9-10(13)11(15)17-12(16-9)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3,(H2,15,16,17).
What are the key properties of 5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine?
5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine has a molecular weight of 296.14 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 66298635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).