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

C5H6Cl2N4S — CID 12926757

IUPAC(4,6-dichloro-5-methylsulfanylpyrimidin-2-yl)hydrazine
SMILESCSc1c(Cl)nc(NN)nc1Cl
InChIInChI=1S/C5H6Cl2N4S/c1-12-2-3(6)9-5(11-8)10-4(2)7/h8H2,1H3,(H,9,10,11)
InChIKeyAOAGWPMYQCOGBZ-UHFFFAOYSA-N
MW225.10 g/mol
LogP1.79
Rot. Bonds2

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

(4,6-dichloro-5-methylsulfanylpyrimidin-2-yl)hydrazine (PubChem CID 12926757) has the molecular formula C5H6Cl2N4S and a molecular weight of 225.10 g/mol. Its IUPAC name is (4,6-dichloro-5-methylsulfanylpyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name(4,6-dichloro-5-methylsulfanylpyrimidin-2-yl)hydrazine
PubChem CID12926757
Molecular FormulaC5H6Cl2N4S
Molecular Weight225.10 g/mol
Exact Mass223.97
IUPAC Name(4,6-dichloro-5-methylsulfanylpyrimidin-2-yl)hydrazine
SMILESCSc1c(Cl)nc(NN)nc1Cl
InChIInChI=1S/C5H6Cl2N4S/c1-12-2-3(6)9-5(11-8)10-4(2)7/h8H2,1H3,(H,9,10,11)
InChIKeyAOAGWPMYQCOGBZ-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

2,4,6-Trichloro-5-methylsulfanyl-pyrimidine
CID 12225544
Tioclorim
CID 50262
2-Chloro-5-(methylthio)-4,6-pyrimidinediamine
CID 51216
4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine
CID 1488580
6-Chloro-5-methylsulfinylpyrimidine-2,4-diamine
CID 12790359
(2,6-Dichloro-5-methylsulfanylpyrimidin-4-yl)hydrazine
CID 12926756
4,6-Dichloro-5-methylsulfanylpyrimidin-2-amine
CID 12926758
2,6-Dichloro-5-methylsulfanylpyrimidin-4-amine
CID 12926759
4-Chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine
CID 12926760
6-Chloro-2-hydrazinyl-5-methylsulfanylpyrimidin-4-amine
CID 12926761
4-Azido-6-chloro-5-methylsulfanylpyrimidin-2-amine
CID 12926764
4-chloro-6-hydrazinyl-N-methyl-5-methylsulfanylpyrimidin-2-amine
CID 12926768

Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-5-methylsulfanylpyrimidin-2-yl)hydrazine?
The IUPAC name of (4,6-dichloro-5-methylsulfanylpyrimidin-2-yl)hydrazine (CID 12926757) is (4,6-dichloro-5-methylsulfanylpyrimidin-2-yl)hydrazine.
What is the SMILES notation for (4,6-dichloro-5-methylsulfanylpyrimidin-2-yl)hydrazine?
The canonical SMILES for (4,6-dichloro-5-methylsulfanylpyrimidin-2-yl)hydrazine is CSc1c(Cl)nc(NN)nc1Cl.
What is the InChIKey of (4,6-dichloro-5-methylsulfanylpyrimidin-2-yl)hydrazine?
The InChIKey is AOAGWPMYQCOGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N4S/c1-12-2-3(6)9-5(11-8)10-4(2)7/h8H2,1H3,(H,9,10,11).
What are the key properties of (4,6-dichloro-5-methylsulfanylpyrimidin-2-yl)hydrazine?
(4,6-dichloro-5-methylsulfanylpyrimidin-2-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 (4,6-dichloro-5-methylsulfanylpyrimidin-2-yl)hydrazine is sourced from PubChem (CID 12926757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).