(5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine

C5H6Cl2N4S — CID 88739963

IUPAC(5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(Cl)c(Cl)c(NN)n1
InChIInChI=1S/C5H6Cl2N4S/c1-12-5-9-3(7)2(6)4(10-5)11-8/h8H2,1H3,(H,9,10,11)
InChIKeyCLMOSODDNZXEJH-UHFFFAOYSA-N
MW225.10 g/mol
LogP1.79
Rot. Bonds2

About (5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine

(5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 88739963) has the molecular formula C5H6Cl2N4S and a molecular weight of 225.10 g/mol. Its IUPAC name is (5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID88739963
Molecular FormulaC5H6Cl2N4S
Molecular Weight225.10 g/mol
Exact Mass223.97
IUPAC Name(5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(Cl)c(Cl)c(NN)n1
InChIInChI=1S/C5H6Cl2N4S/c1-12-5-9-3(7)2(6)4(10-5)11-8/h8H2,1H3,(H,9,10,11)
InChIKeyCLMOSODDNZXEJH-UHFFFAOYSA-N
XLogP1.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-5-fluoro-6-hydrazino-2-(methylthio)pyrimidine
CID 86636914
2-Amino-4,5-dichloro-6-hydrazinopyrimidine
CID 55281624
4-Chloro-6-hydrazinyl-2-(methylsulfanyl)pyrimidine
CID 1484546
(2,6-Dichloro-5-methylsulfanylpyrimidin-4-yl)hydrazine
CID 12926756
4-Chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine
CID 12926760
(2,5,6-Trichloropyrimidin-4-yl)hydrazine
CID 20038962
(5,6-Dichloro-2-methylpyrimidin-4-yl)hydrazine
CID 20038968
(2,5-Dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 88738454
5,6-Dichloro-2-(methylthio)pyrimidin-4-amine
CID 88738842
5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 88739746
5,6-Dichloro-2-methylsulfinylpyrimidin-4-amine
CID 90303757
(6-Chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine
CID 123403286

Frequently Asked Questions

What is the IUPAC name of (5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine (CID 88739963) is (5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine is CSc1nc(Cl)c(Cl)c(NN)n1.
What is the InChIKey of (5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is CLMOSODDNZXEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N4S/c1-12-5-9-3(7)2(6)4(10-5)11-8/h8H2,1H3,(H,9,10,11).
What are the key properties of (5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine?
(5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 225.10 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 88739963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).