5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine

C11H11BrFN5O — CID 114262908

IUPAC5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCOc1cc(F)cc(Nc2ncnc(NN)c2Br)c1
InChIInChI=1S/C11H11BrFN5O/c1-19-8-3-6(13)2-7(4-8)17-10-9(12)11(18-14)16-5-15-10/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyMVJNWSNLKRRDBW-UHFFFAOYSA-N
MW328.15 g/mol
LogP2.42
Rot. Bonds4

About 5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine

5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 114262908) has the molecular formula C11H11BrFN5O and a molecular weight of 328.15 g/mol. Its IUPAC name is 5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID114262908
Molecular FormulaC11H11BrFN5O
Molecular Weight328.15 g/mol
Exact Mass327.01
IUPAC Name5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCOc1cc(F)cc(Nc2ncnc(NN)c2Br)c1
InChIInChI=1S/C11H11BrFN5O/c1-19-8-3-6(13)2-7(4-8)17-10-9(12)11(18-14)16-5-15-10/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyMVJNWSNLKRRDBW-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

(3-fluoro-5-methoxyphenyl)hydrazine;hydrochloride
CID 71756043
N-(3,5-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80912719
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 107371208
4-N-(3-fluoro-5-methoxyphenyl)-5-methylpyrimidine-2,4-diamine
CID 114262867
5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 114073042
5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine
CID 59353304
3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
CID 141168476
methyl 2-[4-(3-fluoro-5-methoxyanilino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 133362703
1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea
CID 155554018
3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
CID 79531944
7-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 46290416
4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 82859543

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine (CID 114262908) is 5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine is COc1cc(F)cc(Nc2ncnc(NN)c2Br)c1.
What is the InChIKey of 5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is MVJNWSNLKRRDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN5O/c1-19-8-3-6(13)2-7(4-8)17-10-9(12)11(18-14)16-5-15-10/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine?
5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-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-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 114262908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).