5-bromopyrimidine-2,4,6-triamine

C4H6BrN5 — CID 23423802

IUPAC5-bromopyrimidine-2,4,6-triamine
SMILESNc1nc(N)c(Br)c(N)n1
InChIInChI=1S/C4H6BrN5/c5-1-2(6)9-4(8)10-3(1)7/h(H6,6,7,8,9,10)
InChIKeyJNESDTOADUUVAL-UHFFFAOYSA-N
MW204.03 g/mol
LogP-0.01
Rot. Bonds

About 5-bromopyrimidine-2,4,6-triamine

5-bromopyrimidine-2,4,6-triamine (PubChem CID 23423802) has the molecular formula C4H6BrN5 and a molecular weight of 204.03 g/mol. Its IUPAC name is 5-bromopyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-bromopyrimidine-2,4,6-triamine
PubChem CID23423802
Molecular FormulaC4H6BrN5
Molecular Weight204.03 g/mol
Exact Mass202.98
IUPAC Name5-bromopyrimidine-2,4,6-triamine
SMILESNc1nc(N)c(Br)c(N)n1
InChIInChI=1S/C4H6BrN5/c5-1-2(6)9-4(8)10-3(1)7/h(H6,6,7,8,9,10)
InChIKeyJNESDTOADUUVAL-UHFFFAOYSA-N
XLogP-0.01
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyrimidine-2,4,6-triamine?
The IUPAC name of 5-bromopyrimidine-2,4,6-triamine (CID 23423802) is 5-bromopyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-bromopyrimidine-2,4,6-triamine?
The canonical SMILES for 5-bromopyrimidine-2,4,6-triamine is Nc1nc(N)c(Br)c(N)n1.
What is the InChIKey of 5-bromopyrimidine-2,4,6-triamine?
The InChIKey is JNESDTOADUUVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN5/c5-1-2(6)9-4(8)10-3(1)7/h(H6,6,7,8,9,10).
What are the key properties of 5-bromopyrimidine-2,4,6-triamine?
5-bromopyrimidine-2,4,6-triamine has a molecular weight of 204.03 g/mol, XLogP of -0.01, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyrimidine-2,4,6-triamine is sourced from PubChem (CID 23423802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).