6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine

C10H8BrFN4 — CID 57472971

IUPAC6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1nc(N)c(F)c(-c2cccc(Br)c2)n1
InChIInChI=1S/C10H8BrFN4/c11-6-3-1-2-5(4-6)8-7(12)9(13)16-10(14)15-8/h1-4H,(H4,13,14,15,16)
InChIKeyFXHJSEIAOKPKEC-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.21
Rot. Bonds1

About 6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine

6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 57472971) has the molecular formula C10H8BrFN4 and a molecular weight of 283.10 g/mol. Its IUPAC name is 6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID57472971
Molecular FormulaC10H8BrFN4
Molecular Weight283.10 g/mol
Exact Mass281.99
IUPAC Name6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1nc(N)c(F)c(-c2cccc(Br)c2)n1
InChIInChI=1S/C10H8BrFN4/c11-6-3-1-2-5(4-6)8-7(12)9(13)16-10(14)15-8/h1-4H,(H4,13,14,15,16)
InChIKeyFXHJSEIAOKPKEC-UHFFFAOYSA-N
XLogP2.21
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine (CID 57472971) is 6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine is Nc1nc(N)c(F)c(-c2cccc(Br)c2)n1.
What is the InChIKey of 6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is FXHJSEIAOKPKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4/c11-6-3-1-2-5(4-6)8-7(12)9(13)16-10(14)15-8/h1-4H,(H4,13,14,15,16).
What are the key properties of 6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine?
6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 283.10 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 57472971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).