[6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine

C13H15N5S — CID 80908426

IUPAC[6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C13H15N5S/c1-19-13-15-11(17-14)6-12(16-13)18-7-9-4-2-3-5-10(9)8-18/h2-6H,7-8,14H2,1H3,(H,15,16,17)
InChIKeyRDEDEBOWIMLCEQ-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.00
Rot. Bonds3

About [6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine

[6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80908426) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is [6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
PubChem CID80908426
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name[6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C13H15N5S/c1-19-13-15-11(17-14)6-12(16-13)18-7-9-4-2-3-5-10(9)8-18/h2-6H,7-8,14H2,1H3,(H,15,16,17)
InChIKeyRDEDEBOWIMLCEQ-UHFFFAOYSA-N
XLogP2.00
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1,3-dihydroisoindol-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80822675
(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 80932159
[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80909047
[2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80903003
6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 80822413
[6-(2-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80898992
4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80931065
[2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80924868
1-[4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80901943
[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629757
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80930524
(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80899902

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine (CID 80908426) is [6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(N2Cc3ccccc3C2)n1.
What is the InChIKey of [6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is RDEDEBOWIMLCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-19-13-15-11(17-14)6-12(16-13)18-7-9-4-2-3-5-10(9)8-18/h2-6H,7-8,14H2,1H3,(H,15,16,17).
What are the key properties of [6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
[6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 273.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80908426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).