pyrimidine-2,4,5,6-tetramine dibromide

C4H8Br2N6-2 — CID 131726730

IUPACpyrimidine-2,4,5,6-tetramine dibromide
SMILESNc1nc(N)c(N)c(N)n1.[Br-].[Br-]
InChIInChI=1S/C4H8N6.2BrH/c5-1-2(6)9-4(8)10-3(1)7;;/h5H2,(H6,6,7,8,9,10);2*1H/p-2
InChIKeyDTKSWBRWWPSTNJ-UHFFFAOYSA-L
MW299.96 g/mol
LogP-7.19
Rot. Bonds

About pyrimidine-2,4,5,6-tetramine dibromide

pyrimidine-2,4,5,6-tetramine dibromide (PubChem CID 131726730) has the molecular formula C4H8Br2N6-2 and a molecular weight of 299.96 g/mol. Its IUPAC name is pyrimidine-2,4,5,6-tetramine dibromide.

Molecular Properties

Compound Namepyrimidine-2,4,5,6-tetramine dibromide
PubChem CID131726730
Molecular FormulaC4H8Br2N6-2
Molecular Weight299.96 g/mol
Exact Mass297.92
IUPAC Namepyrimidine-2,4,5,6-tetramine dibromide
SMILESNc1nc(N)c(N)c(N)n1.[Br-].[Br-]
InChIInChI=1S/C4H8N6.2BrH/c5-1-2(6)9-4(8)10-3(1)7;;/h5H2,(H6,6,7,8,9,10);2*1H/p-2
InChIKeyDTKSWBRWWPSTNJ-UHFFFAOYSA-L
XLogP-7.19
TPSA129.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.96
LogP ≤ 5-7.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze pyrimidine-2,4,5,6-tetramine dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 86527149
CID 86527149
6-hydrazinylpyrimidine-2,4,5-triamine
CID 142259866
1,3,5-triazine-2,4,6-triamine
CID 22011128
1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
cerium;1,3,5-triazine-2,4,6-triamine
CID 161330303
azane;cobalt;1,3,5-triazine-2,4,6-triamine
CID 172711382
azane;molybdenum(4+);1,3,5-triazine-2,4,6-triamine
CID 172706405
2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol
CID 19821122
5,6-diiodopyrimidine-2,4-diamine
CID 122677619
4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine
CID 69476045
CID 175112486
CID 175112486

Frequently Asked Questions

What is the IUPAC name of pyrimidine-2,4,5,6-tetramine dibromide?
The IUPAC name of pyrimidine-2,4,5,6-tetramine dibromide (CID 131726730) is pyrimidine-2,4,5,6-tetramine dibromide.
What is the SMILES notation for pyrimidine-2,4,5,6-tetramine dibromide?
The canonical SMILES for pyrimidine-2,4,5,6-tetramine dibromide is Nc1nc(N)c(N)c(N)n1.[Br-].[Br-].
What is the InChIKey of pyrimidine-2,4,5,6-tetramine dibromide?
The InChIKey is DTKSWBRWWPSTNJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8N6.2BrH/c5-1-2(6)9-4(8)10-3(1)7;;/h5H2,(H6,6,7,8,9,10);2*1H/p-2.
What are the key properties of pyrimidine-2,4,5,6-tetramine dibromide?
pyrimidine-2,4,5,6-tetramine dibromide has a molecular weight of 299.96 g/mol, XLogP of -7.19, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-2,4,5,6-tetramine dibromide is sourced from PubChem (CID 131726730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).