5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine

C11H11BrFN5O — CID 80929812

IUPAC5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCOc1ccc(F)c(Nc2nc(NN)ncc2Br)c1
InChIInChI=1S/C11H11BrFN5O/c1-19-6-2-3-8(13)9(4-6)16-10-7(12)5-15-11(17-10)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyIJUPTBNONYSZAC-UHFFFAOYSA-N
MW328.15 g/mol
LogP2.42
Rot. Bonds4

About 5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine

5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80929812) has the molecular formula C11H11BrFN5O and a molecular weight of 328.15 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80929812
Molecular FormulaC11H11BrFN5O
Molecular Weight328.15 g/mol
Exact Mass327.01
IUPAC Name5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCOc1ccc(F)c(Nc2nc(NN)ncc2Br)c1
InChIInChI=1S/C11H11BrFN5O/c1-19-6-2-3-8(13)9(4-6)16-10-7(12)5-15-11(17-10)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyIJUPTBNONYSZAC-UHFFFAOYSA-N
XLogP2.42
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 52.42
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

5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 114252987
5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 103587907
5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763611
[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 83237844
4-N-(2-fluoro-5-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80838232
(2-fluoro-5-methoxyphenyl)hydrazine
CID 34175304
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951
5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930663
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine
CID 114071767
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104781960
5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine
CID 59353304

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine (CID 80929812) is 5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine is COc1ccc(F)c(Nc2nc(NN)ncc2Br)c1.
What is the InChIKey of 5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is IJUPTBNONYSZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN5O/c1-19-6-2-3-8(13)9(4-6)16-10-7(12)5-15-11(17-10)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 328.15 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80929812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).