N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine

C8H9BrFN3 — CID 103634964

IUPACN-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESC=C(Br)CNc1ncnc(C)c1F
InChIInChI=1S/C8H9BrFN3/c1-5(9)3-11-8-7(10)6(2)12-4-13-8/h4H,1,3H2,2H3,(H,11,12,13)
InChIKeyLBKNCSACFKETMV-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.24
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine

N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 103634964) has the molecular formula C8H9BrFN3 and a molecular weight of 246.08 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID103634964
Molecular FormulaC8H9BrFN3
Molecular Weight246.08 g/mol
Exact Mass245.00
IUPAC NameN-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESC=C(Br)CNc1ncnc(C)c1F
InChIInChI=1S/C8H9BrFN3/c1-5(9)3-11-8-7(10)6(2)12-4-13-8/h4H,1,3H2,2H3,(H,11,12,13)
InChIKeyLBKNCSACFKETMV-UHFFFAOYSA-N
XLogP2.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine (CID 103634964) is N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine is C=C(Br)CNc1ncnc(C)c1F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is LBKNCSACFKETMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN3/c1-5(9)3-11-8-7(10)6(2)12-4-13-8/h4H,1,3H2,2H3,(H,11,12,13).
What are the key properties of N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine?
N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 246.08 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 103634964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).