N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

C11H11BrClN5S — CID 107617990

IUPACN-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C11H11BrClN5S/c1-19-11-16-9(5-10(17-11)18-14)15-6-2-3-7(12)8(13)4-6/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyDBSXWYZUSOLLQT-UHFFFAOYSA-N
MW360.67 g/mol
LogP3.64
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 107617990) has the molecular formula C11H11BrClN5S and a molecular weight of 360.67 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID107617990
Molecular FormulaC11H11BrClN5S
Molecular Weight360.67 g/mol
Exact Mass358.96
IUPAC NameN-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C11H11BrClN5S/c1-19-11-16-9(5-10(17-11)18-14)15-6-2-3-7(12)8(13)4-6/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyDBSXWYZUSOLLQT-UHFFFAOYSA-N
XLogP3.64
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.67
LogP ≤ 53.64
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-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80927041
6-chloro-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544635
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80546836
N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80544730
6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine
CID 80913186
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80906036
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107617788
N-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80759959
N-(3-bromo-4-chlorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775897
N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80905693

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (CID 107617990) is N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(Nc2ccc(Br)c(Cl)c2)n1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is DBSXWYZUSOLLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN5S/c1-19-11-16-9(5-10(17-11)18-14)15-6-2-3-7(12)8(13)4-6/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 360.67 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 107617990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).