5-bromo-6-methoxypyrimidine-2,4-diamine

C5H7BrN4O — CID 83867236

IUPAC5-bromo-6-methoxypyrimidine-2,4-diamine
SMILESCOc1nc(N)nc(N)c1Br
InChIInChI=1S/C5H7BrN4O/c1-11-4-2(6)3(7)9-5(8)10-4/h1H3,(H4,7,8,9,10)
InChIKeyODAPTLDOZFOVIT-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.41
Rot. Bonds1

About 5-bromo-6-methoxypyrimidine-2,4-diamine

5-bromo-6-methoxypyrimidine-2,4-diamine (PubChem CID 83867236) has the molecular formula C5H7BrN4O and a molecular weight of 219.04 g/mol. Its IUPAC name is 5-bromo-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-6-methoxypyrimidine-2,4-diamine
PubChem CID83867236
Molecular FormulaC5H7BrN4O
Molecular Weight219.04 g/mol
Exact Mass217.98
IUPAC Name5-bromo-6-methoxypyrimidine-2,4-diamine
SMILESCOc1nc(N)nc(N)c1Br
InChIInChI=1S/C5H7BrN4O/c1-11-4-2(6)3(7)9-5(8)10-4/h1H3,(H4,7,8,9,10)
InChIKeyODAPTLDOZFOVIT-UHFFFAOYSA-N
XLogP0.41
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-6-methoxypyrimidine-2,4-diamine (CID 83867236) is 5-bromo-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-6-methoxypyrimidine-2,4-diamine is COc1nc(N)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-methoxypyrimidine-2,4-diamine?
The InChIKey is ODAPTLDOZFOVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4O/c1-11-4-2(6)3(7)9-5(8)10-4/h1H3,(H4,7,8,9,10).
What are the key properties of 5-bromo-6-methoxypyrimidine-2,4-diamine?
5-bromo-6-methoxypyrimidine-2,4-diamine has a molecular weight of 219.04 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 83867236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).