N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide

C8H11ClN4OS — CID 20649725

IUPACN'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide
SMILESCSc1nc(Cl)c(C)c(NNC(C)=O)n1
InChIInChI=1S/C8H11ClN4OS/c1-4-6(9)10-8(15-3)11-7(4)13-12-5(2)14/h1-3H3,(H,12,14)(H,10,11,13)
InChIKeyVRWPDJPRWIVLLO-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.62
Rot. Bonds3

About N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide

N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide (PubChem CID 20649725) has the molecular formula C8H11ClN4OS and a molecular weight of 246.72 g/mol. Its IUPAC name is N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide
PubChem CID20649725
Molecular FormulaC8H11ClN4OS
Molecular Weight246.72 g/mol
Exact Mass246.03
IUPAC NameN'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide
SMILESCSc1nc(Cl)c(C)c(NNC(C)=O)n1
InChIInChI=1S/C8H11ClN4OS/c1-4-6(9)10-8(15-3)11-7(4)13-12-5(2)14/h1-3H3,(H,12,14)(H,10,11,13)
InChIKeyVRWPDJPRWIVLLO-UHFFFAOYSA-N
XLogP1.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-Chloro-5-methyl-2-propylsulfanylpyrimidin-4-yl)hydrazine
CID 123403286
4-Chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one
CID 92045274
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbohydrazide
CID 129966576

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide?
The IUPAC name of N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide (CID 20649725) is N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide.
What is the SMILES notation for N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide?
The canonical SMILES for N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide is CSc1nc(Cl)c(C)c(NNC(C)=O)n1.
What is the InChIKey of N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide?
The InChIKey is VRWPDJPRWIVLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4OS/c1-4-6(9)10-8(15-3)11-7(4)13-12-5(2)14/h1-3H3,(H,12,14)(H,10,11,13).
What are the key properties of N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide?
N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide has a molecular weight of 246.72 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-5-methyl-2-methylsulfanylpyrimidin-4-yl)acetohydrazide is sourced from PubChem (CID 20649725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).