2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine

C12H11BrFN3 — CID 66000765

IUPAC2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(Cc2ccc(Br)cc2)nc(N)c1F
InChIInChI=1S/C12H11BrFN3/c1-7-11(14)12(15)17-10(16-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyKWJPHZHMHRLBOJ-UHFFFAOYSA-N
MW296.14 g/mol
LogP2.86
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine

2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 66000765) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID66000765
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(Cc2ccc(Br)cc2)nc(N)c1F
InChIInChI=1S/C12H11BrFN3/c1-7-11(14)12(15)17-10(16-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyKWJPHZHMHRLBOJ-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine (CID 66000765) is 2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine is Cc1nc(Cc2ccc(Br)cc2)nc(N)c1F.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is KWJPHZHMHRLBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-7-11(14)12(15)17-10(16-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H2,15,16,17).
What are the key properties of 2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine?
2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 296.14 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66000765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).