5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine

C12H14BrN5O2 — CID 59353304

IUPAC5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine
SMILESCOc1cc(Nc2ncc(Br)c(NN)n2)cc(OC)c1
InChIInChI=1S/C12H14BrN5O2/c1-19-8-3-7(4-9(5-8)20-2)16-12-15-6-10(13)11(17-12)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyKCKOJWIQDRWMIV-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.29
Rot. Bonds5

About 5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine

5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine (PubChem CID 59353304) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine
PubChem CID59353304
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine
SMILESCOc1cc(Nc2ncc(Br)c(NN)n2)cc(OC)c1
InChIInChI=1S/C12H14BrN5O2/c1-19-8-3-7(4-9(5-8)20-2)16-12-15-6-10(13)11(17-12)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyKCKOJWIQDRWMIV-UHFFFAOYSA-N
XLogP2.29
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine (CID 59353304) is 5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine is COc1cc(Nc2ncc(Br)c(NN)n2)cc(OC)c1.
What is the InChIKey of 5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine?
The InChIKey is KCKOJWIQDRWMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-19-8-3-7(4-9(5-8)20-2)16-12-15-6-10(13)11(17-12)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine?
5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine has a molecular weight of 340.18 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 59353304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).