N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

C11H11Cl2N5S — CID 80927041

IUPACN-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H11Cl2N5S/c1-19-11-16-9(5-10(17-11)18-14)15-8-3-6(12)2-7(13)4-8/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyIKKRZVIYZWPUEH-UHFFFAOYSA-N
MW316.22 g/mol
LogP3.53
Rot. Bonds4

About N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80927041) has the molecular formula C11H11Cl2N5S and a molecular weight of 316.22 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80927041
Molecular FormulaC11H11Cl2N5S
Molecular Weight316.22 g/mol
Exact Mass315.01
IUPAC NameN-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H11Cl2N5S/c1-19-11-16-9(5-10(17-11)18-14)15-8-3-6(12)2-7(13)4-8/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyIKKRZVIYZWPUEH-UHFFFAOYSA-N
XLogP3.53
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107617990
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80906036
6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine
CID 80913186
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80920038
N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80905693
N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 14935475
N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
CID 107371189
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 107371209
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
CID 102909009
N-(2,3-dimethylbutyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80918315
1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761138
N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107594496

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (CID 80927041) is N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is IKKRZVIYZWPUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5S/c1-19-11-16-9(5-10(17-11)18-14)15-8-3-6(12)2-7(13)4-8/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 316.22 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80927041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).