(4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine

C5H9ClN6S — CID 88738468

IUPAC(4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine
SMILESCSc1nc(NN)nc(Cl)c1NN
InChIInChI=1S/C5H9ClN6S/c1-13-4-2(11-7)3(6)9-5(10-4)12-8/h11H,7-8H2,1H3,(H,9,10,12)
InChIKeyPSFHMZWOTODPDZ-UHFFFAOYSA-N
MW220.69 g/mol
LogP0.42
Rot. Bonds3

About (4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine

(4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine (PubChem CID 88738468) has the molecular formula C5H9ClN6S and a molecular weight of 220.69 g/mol. Its IUPAC name is (4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine.

Molecular Properties

Compound Name(4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine
PubChem CID88738468
Molecular FormulaC5H9ClN6S
Molecular Weight220.69 g/mol
Exact Mass220.03
IUPAC Name(4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine
SMILESCSc1nc(NN)nc(Cl)c1NN
InChIInChI=1S/C5H9ClN6S/c1-13-4-2(11-7)3(6)9-5(10-4)12-8/h11H,7-8H2,1H3,(H,9,10,12)
InChIKeyPSFHMZWOTODPDZ-UHFFFAOYSA-N
XLogP0.42
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.69
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-Methylthio-5-amino-6-chloropyrimidine
CID 12350057
4-Chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine
CID 12926760
4-Chloro-6-methylsulfanylpyrimidine-2,5-diamine
CID 88712151
4-Chloro-6-methylsulfinylpyrimidine-2,5-diamine
CID 88712685
2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine
CID 88737474
(2,5-Dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 88738454
4-Butylsulfanyl-6-chloropyrimidine-2,5-diamine
CID 88767577
4-Chloro-6-ethylsulfanylpyrimidine-2,5-diamine
CID 88769181
4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine
CID 88770287
4-Chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine
CID 144529077
7-chloro-5-propylsulfanyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidine
CID 164016106
4,6-Bis(methylsulfanyl)pyrimidine-2,5-diamine
CID 14893053

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine?
The IUPAC name of (4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine (CID 88738468) is (4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine.
What is the SMILES notation for (4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine?
The canonical SMILES for (4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine is CSc1nc(NN)nc(Cl)c1NN.
What is the InChIKey of (4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine?
The InChIKey is PSFHMZWOTODPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN6S/c1-13-4-2(11-7)3(6)9-5(10-4)12-8/h11H,7-8H2,1H3,(H,9,10,12).
What are the key properties of (4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine?
(4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine has a molecular weight of 220.69 g/mol, XLogP of 0.42, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine is sourced from PubChem (CID 88738468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).