(6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine

C8H13ClN4S — CID 123403286

IUPAC(6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine
SMILESCCCSc1nc(Cl)c(C)c(NN)n1
InChIInChI=1S/C8H13ClN4S/c1-3-4-14-8-11-6(9)5(2)7(12-8)13-10/h3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyHVXDFRDRIDQMOH-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.23
Rot. Bonds4

About (6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine

(6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 123403286) has the molecular formula C8H13ClN4S and a molecular weight of 232.74 g/mol. Its IUPAC name is (6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID123403286
Molecular FormulaC8H13ClN4S
Molecular Weight232.74 g/mol
Exact Mass232.05
IUPAC Name(6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine
SMILESCCCSc1nc(Cl)c(C)c(NN)n1
InChIInChI=1S/C8H13ClN4S/c1-3-4-14-8-11-6(9)5(2)7(12-8)13-10/h3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyHVXDFRDRIDQMOH-UHFFFAOYSA-N
XLogP2.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.23
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-6-hydrazinyl-2,5-dimethylpyrimidine
CID 63735591
6-chloro-5-methyl-2-(methylthio)-4-Pyrimidinamine
CID 20343194
4-Chloro-5-fluoro-6-hydrazino-2-(methylthio)pyrimidine
CID 86636914
4-(1-Methylhydrazino)-2-methylthio-6-chloropyrimidine-5-carbonitrile
CID 15273967
(2,6-Dichloro-5-methylsulfanylpyrimidin-4-yl)hydrazine
CID 12926756
4-Chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine
CID 12926760
6-Chloro-2-hydrazinyl-5-methylsulfanylpyrimidin-4-amine
CID 12926761
N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide
CID 20649725
4,6-dichloro-3-methylsulfanyl-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine
CID 59591743
(2,5-Dichloro-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 88738454
(5,6-Dichloro-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 88739963
4,6-Dichloro-5-methyl-2-propylsulfanylpyrimidine
CID 90395892

Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine (CID 123403286) is (6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine is CCCSc1nc(Cl)c(C)c(NN)n1.
What is the InChIKey of (6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is HVXDFRDRIDQMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4S/c1-3-4-14-8-11-6(9)5(2)7(12-8)13-10/h3-4,10H2,1-2H3,(H,11,12,13).
What are the key properties of (6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine?
(6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 232.74 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 123403286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).