6-bromopyrimidine-2,4-diamine

C4H5BrN4 — CID 15055390

IUPAC6-bromopyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(N)n1
InChIInChI=1S/C4H5BrN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
InChIKeyULSYPLOIMKLSCA-UHFFFAOYSA-N
MW189.02 g/mol
LogP0.40
Rot. Bonds

About 6-bromopyrimidine-2,4-diamine

6-bromopyrimidine-2,4-diamine (PubChem CID 15055390) has the molecular formula C4H5BrN4 and a molecular weight of 189.02 g/mol. Its IUPAC name is 6-bromopyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromopyrimidine-2,4-diamine
PubChem CID15055390
Molecular FormulaC4H5BrN4
Molecular Weight189.02 g/mol
Exact Mass187.97
IUPAC Name6-bromopyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(N)n1
InChIInChI=1S/C4H5BrN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
InChIKeyULSYPLOIMKLSCA-UHFFFAOYSA-N
XLogP0.40
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.02
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromopyrimidine-2,4-diamine?
The IUPAC name of 6-bromopyrimidine-2,4-diamine (CID 15055390) is 6-bromopyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromopyrimidine-2,4-diamine?
The canonical SMILES for 6-bromopyrimidine-2,4-diamine is Nc1cc(Br)nc(N)n1.
What is the InChIKey of 6-bromopyrimidine-2,4-diamine?
The InChIKey is ULSYPLOIMKLSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9).
What are the key properties of 6-bromopyrimidine-2,4-diamine?
6-bromopyrimidine-2,4-diamine has a molecular weight of 189.02 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyrimidine-2,4-diamine is sourced from PubChem (CID 15055390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).