5-bromo-N-methylpyrimidin-2-amine

C5H6BrN3 — CID 13098184

IUPAC5-bromo-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)cn1
InChIInChI=1S/C5H6BrN3/c1-7-5-8-2-4(6)3-9-5/h2-3H,1H3,(H,7,8,9)
InChIKeyUDQGIOYIJKRLFH-UHFFFAOYSA-N
MW188.03 g/mol
LogP1.28
Rot. Bonds1

About 5-bromo-N-methylpyrimidin-2-amine

5-bromo-N-methylpyrimidin-2-amine (PubChem CID 13098184) has the molecular formula C5H6BrN3 and a molecular weight of 188.03 g/mol. Its IUPAC name is 5-bromo-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methylpyrimidin-2-amine
PubChem CID13098184
Molecular FormulaC5H6BrN3
Molecular Weight188.03 g/mol
Exact Mass186.97
IUPAC Name5-bromo-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)cn1
InChIInChI=1S/C5H6BrN3/c1-7-5-8-2-4(6)3-9-5/h2-3H,1H3,(H,7,8,9)
InChIKeyUDQGIOYIJKRLFH-UHFFFAOYSA-N
XLogP1.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.03
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methylpyrimidin-2-amine (CID 13098184) is 5-bromo-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methylpyrimidin-2-amine is CNc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-methylpyrimidin-2-amine?
The InChIKey is UDQGIOYIJKRLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3/c1-7-5-8-2-4(6)3-9-5/h2-3H,1H3,(H,7,8,9).
What are the key properties of 5-bromo-N-methylpyrimidin-2-amine?
5-bromo-N-methylpyrimidin-2-amine has a molecular weight of 188.03 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methylpyrimidin-2-amine is sourced from PubChem (CID 13098184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).