5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine

C9H8BrN5 — CID 66305058

IUPAC5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2cnccn2)nc(N)c1Br
InChIInChI=1S/C9H8BrN5/c1-5-7(10)8(11)15-9(14-5)6-4-12-2-3-13-6/h2-4H,1H3,(H2,11,14,15)
InChIKeyWCMBYLYXZSKCDW-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.59
Rot. Bonds1

About 5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine

5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine (PubChem CID 66305058) has the molecular formula C9H8BrN5 and a molecular weight of 266.10 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
PubChem CID66305058
Molecular FormulaC9H8BrN5
Molecular Weight266.10 g/mol
Exact Mass265.00
IUPAC Name5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2cnccn2)nc(N)c1Br
InChIInChI=1S/C9H8BrN5/c1-5-7(10)8(11)15-9(14-5)6-4-12-2-3-13-6/h2-4H,1H3,(H2,11,14,15)
InChIKeyWCMBYLYXZSKCDW-UHFFFAOYSA-N
XLogP1.59
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine (CID 66305058) is 5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine is Cc1nc(-c2cnccn2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine?
The InChIKey is WCMBYLYXZSKCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5/c1-5-7(10)8(11)15-9(14-5)6-4-12-2-3-13-6/h2-4H,1H3,(H2,11,14,15).
What are the key properties of 5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine?
5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine has a molecular weight of 266.10 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66305058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).