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

C5H6Cl2N4S — CID 88738454

IUPAC(2,5-dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(Cl)nc(NN)c1Cl
InChIInChI=1S/C5H6Cl2N4S/c1-12-4-2(6)3(11-8)9-5(7)10-4/h8H2,1H3,(H,9,10,11)
InChIKeyFVRPFEYICRXPBU-UHFFFAOYSA-N
MW225.10 g/mol
LogP1.79
Rot. Bonds2

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

(2,5-dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 88738454) has the molecular formula C5H6Cl2N4S and a molecular weight of 225.10 g/mol. Its IUPAC name is (2,5-dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2,5-dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID88738454
Molecular FormulaC5H6Cl2N4S
Molecular Weight225.10 g/mol
Exact Mass223.97
IUPAC Name(2,5-dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(Cl)nc(NN)c1Cl
InChIInChI=1S/C5H6Cl2N4S/c1-12-4-2(6)3(11-8)9-5(7)10-4/h8H2,1H3,(H,9,10,11)
InChIKeyFVRPFEYICRXPBU-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
(2,6-Dichloro-5-methylsulfanylpyrimidin-4-yl)hydrazine
CID 12926756
4,6-Dichloro-2-hydrazinyl-5-(methylthio)pyrimidine
CID 12926757
4-Chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine
CID 12926760
6-Chloro-2-hydrazinyl-5-methylsulfanylpyrimidin-4-amine
CID 12926761
2-Amino-4-hydrazino-6-methylsulfanyl-pyrimidine-5-carbonitrile
CID 55281993
5-Chloro-6-methylsulfanylpyrimidine-2,4-diamine
CID 70573638
5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine
CID 70615458
(4-Chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine
CID 88738468
(2-Chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 88738544
2,5-Dichloro-6-methylsulfanylpyrimidin-4-amine
CID 88739829
(5,6-Dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 88739963

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (2,5-dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine (CID 88738454) is (2,5-dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2,5-dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (2,5-dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine is CSc1nc(Cl)nc(NN)c1Cl.
What is the InChIKey of (2,5-dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is FVRPFEYICRXPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N4S/c1-12-4-2(6)3(11-8)9-5(7)10-4/h8H2,1H3,(H,9,10,11).
What are the key properties of (2,5-dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine?
(2,5-dichloro-6-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 (2,5-dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 88738454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).