5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine

C13H16BrN5O2 — CID 80906951

IUPAC5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(NN)ncc2Br)c(OC)c1
InChIInChI=1S/C13H16BrN5O2/c1-20-9-4-3-8(11(5-9)21-2)6-16-12-10(14)7-17-13(18-12)19-15/h3-5,7H,6,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyXFRAXBIARMIYOO-UHFFFAOYSA-N
MW354.21 g/mol
LogP2.15
Rot. Bonds6

About 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine

5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 80906951) has the molecular formula C13H16BrN5O2 and a molecular weight of 354.21 g/mol. Its IUPAC name is 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID80906951
Molecular FormulaC13H16BrN5O2
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC Name5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(NN)ncc2Br)c(OC)c1
InChIInChI=1S/C13H16BrN5O2/c1-20-9-4-3-8(11(5-9)21-2)6-16-12-10(14)7-17-13(18-12)19-15/h3-5,7H,6,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyXFRAXBIARMIYOO-UHFFFAOYSA-N
XLogP2.15
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 104923949
5-bromo-2-N-ethyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80769855
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199
5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898973
5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 114252987
5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80929812
5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine
CID 103518137
5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763611
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine (CID 80906951) is 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine is COc1ccc(CNc2nc(NN)ncc2Br)c(OC)c1.
What is the InChIKey of 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is XFRAXBIARMIYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O2/c1-20-9-4-3-8(11(5-9)21-2)6-16-12-10(14)7-17-13(18-12)19-15/h3-5,7H,6,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 354.21 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80906951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).