N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

C11H11ClFN5S — CID 80906036

IUPACN-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C11H11ClFN5S/c1-19-11-16-9(5-10(17-11)18-14)15-8-4-6(12)2-3-7(8)13/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyBNXDJIZWHHERBJ-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.02
Rot. Bonds4

About N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80906036) has the molecular formula C11H11ClFN5S and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80906036
Molecular FormulaC11H11ClFN5S
Molecular Weight299.76 g/mol
Exact Mass299.04
IUPAC NameN-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C11H11ClFN5S/c1-19-11-16-9(5-10(17-11)18-14)15-8-4-6(12)2-3-7(8)13/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyBNXDJIZWHHERBJ-UHFFFAOYSA-N
XLogP3.02
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.02
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-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80920038
N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80927041
N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80964867
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897846
N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107594496
1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761138
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107617990
4-chloro-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]benzonitrile
CID 80840258
4-N-(2-fluoro-5-methoxyphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80855114
4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934192
4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80737949
N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine
CID 80912895

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (CID 80906036) is N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(Nc2cc(Cl)ccc2F)n1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is BNXDJIZWHHERBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN5S/c1-19-11-16-9(5-10(17-11)18-14)15-8-4-6(12)2-3-7(8)13/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 299.76 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80906036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).