5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine

C6H4N6O2S2 — CID 80894310

IUPAC5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESNc1ncnc(Sc2ncns2)c1[N+](=O)[O-]
InChIInChI=1S/C6H4N6O2S2/c7-4-3(12(13)14)5(9-1-8-4)15-6-10-2-11-16-6/h1-2H,(H2,7,8,9)
InChIKeyVHAGKUZNNDMBDJ-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.97
Rot. Bonds3

About 5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine

5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80894310) has the molecular formula C6H4N6O2S2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
PubChem CID80894310
Molecular FormulaC6H4N6O2S2
Molecular Weight256.27 g/mol
Exact Mass255.98
IUPAC Name5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESNc1ncnc(Sc2ncns2)c1[N+](=O)[O-]
InChIInChI=1S/C6H4N6O2S2/c7-4-3(12(13)14)5(9-1-8-4)15-6-10-2-11-16-6/h1-2H,(H2,7,8,9)
InChIKeyVHAGKUZNNDMBDJ-UHFFFAOYSA-N
XLogP0.97
TPSA120.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)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

Related Compounds

6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 104604941
6-(3-bromophenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 80889307
5-(3-chloro-2-nitrophenyl)sulfanyl-1,2,4-thiadiazole
CID 104839283
6-(1,3-benzoxazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine
CID 3564117
5-nitro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 112724176
5-nitro-2-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-3-carboxylic acid
CID 114046890
5-nitro-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzonitrile
CID 113324328
1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine
CID 103079624
N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 113221502
N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 112726508
5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine
CID 71336225
5-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931340

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine (CID 80894310) is 5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine is Nc1ncnc(Sc2ncns2)c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is VHAGKUZNNDMBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6O2S2/c7-4-3(12(13)14)5(9-1-8-4)15-6-10-2-11-16-6/h1-2H,(H2,7,8,9).
What are the key properties of 5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 256.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80894310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).