5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine

C10H8BrClFN5 — CID 80921178

IUPAC5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Br)c(Nc2cccc(Cl)c2F)n1
InChIInChI=1S/C10H8BrClFN5/c11-5-4-15-10(18-14)17-9(5)16-7-3-1-2-6(12)8(7)13/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyZXBFPEIMKPWOIL-UHFFFAOYSA-N
MW332.56 g/mol
LogP3.06
Rot. Bonds3

About 5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine

5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80921178) has the molecular formula C10H8BrClFN5 and a molecular weight of 332.56 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80921178
Molecular FormulaC10H8BrClFN5
Molecular Weight332.56 g/mol
Exact Mass330.96
IUPAC Name5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Br)c(Nc2cccc(Cl)c2F)n1
InChIInChI=1S/C10H8BrClFN5/c11-5-4-15-10(18-14)17-9(5)16-7-3-1-2-6(12)8(7)13/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyZXBFPEIMKPWOIL-UHFFFAOYSA-N
XLogP3.06
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927863
N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
CID 80927953
N-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 80912686
5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine
CID 80755029
5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80920340
5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760864
5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 80930813
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
5-bromo-4-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80763006
5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 103587907
5-chloro-N-(2,4-dibromophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80896859
5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930663

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine (CID 80921178) is 5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine is NNc1ncc(Br)c(Nc2cccc(Cl)c2F)n1.
What is the InChIKey of 5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is ZXBFPEIMKPWOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClFN5/c11-5-4-15-10(18-14)17-9(5)16-7-3-1-2-6(12)8(7)13/h1-4H,14H2,(H2,15,16,17,18).
What are the key properties of 5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine?
5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 332.56 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80921178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).