6-bromo-2-N-methylpyrimidine-2,4-diamine

C5H7BrN4 — CID 116795396

IUPAC6-bromo-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(N)cc(Br)n1
InChIInChI=1S/C5H7BrN4/c1-8-5-9-3(6)2-4(7)10-5/h2H,1H3,(H3,7,8,9,10)
InChIKeyYPKOWQHQGUAHIA-UHFFFAOYSA-N
MW203.04 g/mol
LogP0.86
Rot. Bonds1

About 6-bromo-2-N-methylpyrimidine-2,4-diamine

6-bromo-2-N-methylpyrimidine-2,4-diamine (PubChem CID 116795396) has the molecular formula C5H7BrN4 and a molecular weight of 203.04 g/mol. Its IUPAC name is 6-bromo-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-methylpyrimidine-2,4-diamine
PubChem CID116795396
Molecular FormulaC5H7BrN4
Molecular Weight203.04 g/mol
Exact Mass201.99
IUPAC Name6-bromo-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(N)cc(Br)n1
InChIInChI=1S/C5H7BrN4/c1-8-5-9-3(6)2-4(7)10-5/h2H,1H3,(H3,7,8,9,10)
InChIKeyYPKOWQHQGUAHIA-UHFFFAOYSA-N
XLogP0.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-methylpyrimidine-2,4-diamine (CID 116795396) is 6-bromo-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-methylpyrimidine-2,4-diamine is CNc1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is YPKOWQHQGUAHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4/c1-8-5-9-3(6)2-4(7)10-5/h2H,1H3,(H3,7,8,9,10).
What are the key properties of 6-bromo-2-N-methylpyrimidine-2,4-diamine?
6-bromo-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 203.04 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 116795396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).