4-(3-bromophenyl)-5-fluoropyrimidin-2-amine

C10H7BrFN3 — CID 115504031

IUPAC4-(3-bromophenyl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(-c2cccc(Br)c2)n1
InChIInChI=1S/C10H7BrFN3/c11-7-3-1-2-6(4-7)9-8(12)5-14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKeyMADPYCVYBHCDSA-UHFFFAOYSA-N
MW268.09 g/mol
LogP2.63
Rot. Bonds1

About 4-(3-bromophenyl)-5-fluoropyrimidin-2-amine

4-(3-bromophenyl)-5-fluoropyrimidin-2-amine (PubChem CID 115504031) has the molecular formula C10H7BrFN3 and a molecular weight of 268.09 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-fluoropyrimidin-2-amine
PubChem CID115504031
Molecular FormulaC10H7BrFN3
Molecular Weight268.09 g/mol
Exact Mass266.98
IUPAC Name4-(3-bromophenyl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(-c2cccc(Br)c2)n1
InChIInChI=1S/C10H7BrFN3/c11-7-3-1-2-6(4-7)9-8(12)5-14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKeyMADPYCVYBHCDSA-UHFFFAOYSA-N
XLogP2.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine
CID 91664423
5-fluoro-4-quinolin-7-ylpyrimidin-2-amine
CID 81221984
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354729
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 159353991
4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine
CID 115504839
4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine
CID 84814748
4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine
CID 54557881
6-(3-bromophenyl)pteridine-2,4,7-triamine
CID 118987043
4-(3-fluorophenyl)-5-nitropyrimidin-2-amine
CID 114044546
3-(3-bromophenyl)-1,2,4-triazin-5-amine
CID 83547754
5-(3-bromophenyl)-1H-1,2,4-triazol-3-amine
CID 3734662
5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine
CID 176685842

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(3-bromophenyl)-5-fluoropyrimidin-2-amine (CID 115504031) is 4-(3-bromophenyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(-c2cccc(Br)c2)n1.
What is the InChIKey of 4-(3-bromophenyl)-5-fluoropyrimidin-2-amine?
The InChIKey is MADPYCVYBHCDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3/c11-7-3-1-2-6(4-7)9-8(12)5-14-10(13)15-9/h1-5H,(H2,13,14,15).
What are the key properties of 4-(3-bromophenyl)-5-fluoropyrimidin-2-amine?
4-(3-bromophenyl)-5-fluoropyrimidin-2-amine has a molecular weight of 268.09 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 115504031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).