5-bromo-6-methylpyrimidin-4-amine

C5H6BrN3 — CID 604534

IUPAC5-bromo-6-methylpyrimidin-4-amine
SMILESCc1ncnc(N)c1Br
InChIInChI=1S/C5H6BrN3/c1-3-4(6)5(7)9-2-8-3/h2H,1H3,(H2,7,8,9)
InChIKeyQOICQCARYUIEJZ-UHFFFAOYSA-N
MW188.03 g/mol
LogP1.13
Rot. Bonds

About 5-bromo-6-methylpyrimidin-4-amine

5-bromo-6-methylpyrimidin-4-amine (PubChem CID 604534) has the molecular formula C5H6BrN3 and a molecular weight of 188.03 g/mol. Its IUPAC name is 5-bromo-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methylpyrimidin-4-amine
PubChem CID604534
Molecular FormulaC5H6BrN3
Molecular Weight188.03 g/mol
Exact Mass186.97
IUPAC Name5-bromo-6-methylpyrimidin-4-amine
SMILESCc1ncnc(N)c1Br
InChIInChI=1S/C5H6BrN3/c1-3-4(6)5(7)9-2-8-3/h2H,1H3,(H2,7,8,9)
InChIKeyQOICQCARYUIEJZ-UHFFFAOYSA-N
XLogP1.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.03
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methylpyrimidin-4-amine (CID 604534) is 5-bromo-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methylpyrimidin-4-amine is Cc1ncnc(N)c1Br.
What is the InChIKey of 5-bromo-6-methylpyrimidin-4-amine?
The InChIKey is QOICQCARYUIEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3/c1-3-4(6)5(7)9-2-8-3/h2H,1H3,(H2,7,8,9).
What are the key properties of 5-bromo-6-methylpyrimidin-4-amine?
5-bromo-6-methylpyrimidin-4-amine has a molecular weight of 188.03 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methylpyrimidin-4-amine is sourced from PubChem (CID 604534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).