4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine

C10H10BrN5O — CID 80915072

IUPAC4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(Oc2cccc(Br)c2)nc(N)n1
InChIInChI=1S/C10H10BrN5O/c11-6-2-1-3-7(4-6)17-9-5-8(16-13)14-10(12)15-9/h1-5H,13H2,(H3,12,14,15,16)
InChIKeyLWBGMLDZYWWYCE-UHFFFAOYSA-N
MW296.13 g/mol
LogP1.90
Rot. Bonds3

About 4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine

4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine (PubChem CID 80915072) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine
PubChem CID80915072
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(Oc2cccc(Br)c2)nc(N)n1
InChIInChI=1S/C10H10BrN5O/c11-6-2-1-3-7(4-6)17-9-5-8(16-13)14-10(12)15-9/h1-5H,13H2,(H3,12,14,15,16)
InChIKeyLWBGMLDZYWWYCE-UHFFFAOYSA-N
XLogP1.90
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 51.90
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-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
[6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine
CID 114071582
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine
CID 80916183
4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine
CID 80909311
4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80915422
4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 81499351
4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine
CID 80922149
6-(3-bromophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941647
2-bromo-6-(3-bromophenoxy)pyridine
CID 63962984
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80869998

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine (CID 80915072) is 4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine is NNc1cc(Oc2cccc(Br)c2)nc(N)n1.
What is the InChIKey of 4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine?
The InChIKey is LWBGMLDZYWWYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c11-6-2-1-3-7(4-6)17-9-5-8(16-13)14-10(12)15-9/h1-5H,13H2,(H3,12,14,15,16).
What are the key properties of 4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine?
4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine has a molecular weight of 296.13 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 80915072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).