5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine

C10H6BrN5S2 — CID 53386422

IUPAC5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESNc1nc(-c2nccs2)nc(-c2nccs2)c1Br
InChIInChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16)
InChIKeyHPPADDHIDIGPDJ-UHFFFAOYSA-N
MW340.23 g/mol
LogP3.07
Rot. Bonds2

About 5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine

5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 53386422) has the molecular formula C10H6BrN5S2 and a molecular weight of 340.23 g/mol. Its IUPAC name is 5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID53386422
Molecular FormulaC10H6BrN5S2
Molecular Weight340.23 g/mol
Exact Mass338.92
IUPAC Name5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESNc1nc(-c2nccs2)nc(-c2nccs2)c1Br
InChIInChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16)
InChIKeyHPPADDHIDIGPDJ-UHFFFAOYSA-N
XLogP3.07
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine (CID 53386422) is 5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine is Nc1nc(-c2nccs2)nc(-c2nccs2)c1Br.
What is the InChIKey of 5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is HPPADDHIDIGPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16).
What are the key properties of 5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine?
5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 340.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,6-bis(1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 53386422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).