4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine

C11H12BrN5O — CID 107287670

IUPAC4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESCc1ccc(Br)cc1Oc1cc(NN)nc(N)n1
InChIInChI=1S/C11H12BrN5O/c1-6-2-3-7(12)4-8(6)18-10-5-9(17-14)15-11(13)16-10/h2-5H,14H2,1H3,(H3,13,15,16,17)
InChIKeyZSSPKQNNXYCNAE-UHFFFAOYSA-N
MW310.16 g/mol
LogP2.21
Rot. Bonds3

About 4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine

4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine (PubChem CID 107287670) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
PubChem CID107287670
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESCc1ccc(Br)cc1Oc1cc(NN)nc(N)n1
InChIInChI=1S/C11H12BrN5O/c1-6-2-3-7(12)4-8(6)18-10-5-9(17-14)15-11(13)16-10/h2-5H,14H2,1H3,(H3,13,15,16,17)
InChIKeyZSSPKQNNXYCNAE-UHFFFAOYSA-N
XLogP2.21
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 52.21
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

[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706
4-(5-chloro-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80921660
[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 107287677
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80915072
6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80878001
6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80881844
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80912189
[6-(4-bromo-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776430
6-(5-bromo-2-methylphenoxy)pyridin-3-amine
CID 107283348
4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine
CID 80909311
4-hydrazinyl-6-(2-methylquinolin-8-yl)oxypyrimidin-2-amine
CID 80912967

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine (CID 107287670) is 4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine is Cc1ccc(Br)cc1Oc1cc(NN)nc(N)n1.
What is the InChIKey of 4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine?
The InChIKey is ZSSPKQNNXYCNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-6-2-3-7(12)4-8(6)18-10-5-9(17-14)15-11(13)16-10/h2-5H,14H2,1H3,(H3,13,15,16,17).
What are the key properties of 4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine?
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine has a molecular weight of 310.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 107287670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).