5-bromo-4-methoxypyrimidin-2-amine

C5H6BrN3O — CID 45036937

IUPAC5-bromo-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1Br
InChIInChI=1S/C5H6BrN3O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H2,7,8,9)
InChIKeyYGRROWNSCFWHHN-UHFFFAOYSA-N
MW204.03 g/mol
LogP0.83
Rot. Bonds1

About 5-bromo-4-methoxypyrimidin-2-amine

5-bromo-4-methoxypyrimidin-2-amine (PubChem CID 45036937) has the molecular formula C5H6BrN3O and a molecular weight of 204.03 g/mol. Its IUPAC name is 5-bromo-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxypyrimidin-2-amine
PubChem CID45036937
Molecular FormulaC5H6BrN3O
Molecular Weight204.03 g/mol
Exact Mass202.97
IUPAC Name5-bromo-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1Br
InChIInChI=1S/C5H6BrN3O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H2,7,8,9)
InChIKeyYGRROWNSCFWHHN-UHFFFAOYSA-N
XLogP0.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxypyrimidin-2-amine (CID 45036937) is 5-bromo-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxypyrimidin-2-amine is COc1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxypyrimidin-2-amine?
The InChIKey is YGRROWNSCFWHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3,(H2,7,8,9).
What are the key properties of 5-bromo-4-methoxypyrimidin-2-amine?
5-bromo-4-methoxypyrimidin-2-amine has a molecular weight of 204.03 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 45036937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).