N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine

C8H11BrFN3 — CID 104606760

IUPACN-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCC(CBr)N(C)c1ncc(F)cn1
InChIInChI=1S/C8H11BrFN3/c1-6(3-9)13(2)8-11-4-7(10)5-12-8/h4-6H,3H2,1-2H3
InChIKeyKCTBCQARDUZSQY-UHFFFAOYSA-N
MW248.10 g/mol
LogP1.84
Rot. Bonds3

About N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine

N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 104606760) has the molecular formula C8H11BrFN3 and a molecular weight of 248.10 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID104606760
Molecular FormulaC8H11BrFN3
Molecular Weight248.10 g/mol
Exact Mass247.01
IUPAC NameN-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCC(CBr)N(C)c1ncc(F)cn1
InChIInChI=1S/C8H11BrFN3/c1-6(3-9)13(2)8-11-4-7(10)5-12-8/h4-6H,3H2,1-2H3
InChIKeyKCTBCQARDUZSQY-UHFFFAOYSA-N
XLogP1.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine (CID 104606760) is N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine is CC(CBr)N(C)c1ncc(F)cn1.
What is the InChIKey of N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is KCTBCQARDUZSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrFN3/c1-6(3-9)13(2)8-11-4-7(10)5-12-8/h4-6H,3H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine?
N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 248.10 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 104606760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).