4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine

C6H4BrN5S2 — CID 130656080

IUPAC4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESNc1nc(Br)cc(Sc2nncs2)n1
InChIInChI=1S/C6H4BrN5S2/c7-3-1-4(11-5(8)10-3)14-6-12-9-2-13-6/h1-2H,(H2,8,10,11)
InChIKeyPXXRXTSDSMGQMA-UHFFFAOYSA-N
MW290.17 g/mol
LogP1.82
Rot. Bonds2

About 4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine

4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine (PubChem CID 130656080) has the molecular formula C6H4BrN5S2 and a molecular weight of 290.17 g/mol. Its IUPAC name is 4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
PubChem CID130656080
Molecular FormulaC6H4BrN5S2
Molecular Weight290.17 g/mol
Exact Mass288.91
IUPAC Name4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESNc1nc(Br)cc(Sc2nncs2)n1
InChIInChI=1S/C6H4BrN5S2/c7-3-1-4(11-5(8)10-3)14-6-12-9-2-13-6/h1-2H,(H2,8,10,11)
InChIKeyPXXRXTSDSMGQMA-UHFFFAOYSA-N
XLogP1.82
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine 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

4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566656
5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine
CID 79535681
[2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine
CID 63883544
2-methoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine
CID 43262797
4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80893125
3,5-dichloro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine
CID 102761263
3,5-dichloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 106891300
4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile
CID 130587844
N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80893372
4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80892959
2-amino-5-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
CID 60987603
N-methyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949864

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine (CID 130656080) is 4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine is Nc1nc(Br)cc(Sc2nncs2)n1.
What is the InChIKey of 4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is PXXRXTSDSMGQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN5S2/c7-3-1-4(11-5(8)10-3)14-6-12-9-2-13-6/h1-2H,(H2,8,10,11).
What are the key properties of 4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine?
4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 290.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 130656080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).