5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine

C11H10BrF2N5 — CID 103587907

IUPAC5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1cc(F)c(Nc2nc(NN)ncc2Br)cc1F
InChIInChI=1S/C11H10BrF2N5/c1-5-2-8(14)9(3-7(5)13)17-10-6(12)4-16-11(18-10)19-15/h2-4H,15H2,1H3,(H2,16,17,18,19)
InChIKeyVIEWCNKVIYKWQU-UHFFFAOYSA-N
MW330.14 g/mol
LogP2.85
Rot. Bonds3

About 5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine

5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 103587907) has the molecular formula C11H10BrF2N5 and a molecular weight of 330.14 g/mol. Its IUPAC name is 5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID103587907
Molecular FormulaC11H10BrF2N5
Molecular Weight330.14 g/mol
Exact Mass329.01
IUPAC Name5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1cc(F)c(Nc2nc(NN)ncc2Br)cc1F
InChIInChI=1S/C11H10BrF2N5/c1-5-2-8(14)9(3-7(5)13)17-10-6(12)4-16-11(18-10)19-15/h2-4H,15H2,1H3,(H2,16,17,18,19)
InChIKeyVIEWCNKVIYKWQU-UHFFFAOYSA-N
XLogP2.85
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.14
LogP ≤ 52.85
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-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80929812
5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930663
4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 103587790
5-bromo-4-N-(4-bromo-2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107608351
5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 114252987
5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 102855605
4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 103587864
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 103587868
5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927863
5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80921178
N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 103587925
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 103586890

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine (CID 103587907) is 5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine is Cc1cc(F)c(Nc2nc(NN)ncc2Br)cc1F.
What is the InChIKey of 5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is VIEWCNKVIYKWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N5/c1-5-2-8(14)9(3-7(5)13)17-10-6(12)4-16-11(18-10)19-15/h2-4H,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 330.14 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 103587907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).