(2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine

C5H7N5O2S — CID 119096956

IUPAC(2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine
SMILESCSc1ncc([N+](=O)[O-])c(NN)n1
InChIInChI=1S/C5H7N5O2S/c1-13-5-7-2-3(10(11)12)4(8-5)9-6/h2H,6H2,1H3,(H,7,8,9)
InChIKeyXXVVWRBIDAOTNF-UHFFFAOYSA-N
MW201.21 g/mol
LogP0.39
Rot. Bonds3

About (2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine

(2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine (PubChem CID 119096956) has the molecular formula C5H7N5O2S and a molecular weight of 201.21 g/mol. Its IUPAC name is (2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine
PubChem CID119096956
Molecular FormulaC5H7N5O2S
Molecular Weight201.21 g/mol
Exact Mass201.03
IUPAC Name(2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine
SMILESCSc1ncc([N+](=O)[O-])c(NN)n1
InChIInChI=1S/C5H7N5O2S/c1-13-5-7-2-3(10(11)12)4(8-5)9-6/h2H,6H2,1H3,(H,7,8,9)
InChIKeyXXVVWRBIDAOTNF-UHFFFAOYSA-N
XLogP0.39
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(methylsulfanyl)-5-nitropyrimidine
CID 119098645
sodium;methane;4-methyl-2-methylsulfanyl-5-nitropyrimidine;2-methylsulfanyl-5-nitropyrimidin-4-olate
CID 162064550
ethyl 4-(4,5-dimethyl-2-nitroanilino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 67157297
N-cyclopropyl-2-(4-fluorophenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 134007604
5-[(4-fluoro-3-nitroanilino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 67063020
ethyl 4-(4-methyl-2-nitroanilino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 67156451
5-[(4-fluoro-2-methyl-5-nitroanilino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 67063060
5-nitro-2-propylsulfanylpyrimidin-4-amine
CID 142741629
2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 114045169
2-methylsulfanyl-4-[1-(4-nitrophenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 175229399
N-cyclopropyl-2-[(1S)-1-(2,6-difluorophenyl)ethyl]sulfanyl-5-nitropyrimidin-4-amine
CID 97020546
(3-nitro-2-pyridinyl)hydrazine
CID 3578935

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine?
The IUPAC name of (2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine (CID 119096956) is (2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine is CSc1ncc([N+](=O)[O-])c(NN)n1.
What is the InChIKey of (2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine?
The InChIKey is XXVVWRBIDAOTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2S/c1-13-5-7-2-3(10(11)12)4(8-5)9-6/h2H,6H2,1H3,(H,7,8,9).
What are the key properties of (2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine?
(2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine has a molecular weight of 201.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-5-nitropyrimidin-4-yl)hydrazine is sourced from PubChem (CID 119096956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).