4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine

C14H12BrN5O — CID 80909311

IUPAC4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(Oc2ccc3ccccc3c2Br)nc(N)n1
InChIInChI=1S/C14H12BrN5O/c15-13-9-4-2-1-3-8(9)5-6-10(13)21-12-7-11(20-17)18-14(16)19-12/h1-7H,17H2,(H3,16,18,19,20)
InChIKeyBRMPDNVWXDTMAL-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.05
Rot. Bonds3

About 4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine

4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine (PubChem CID 80909311) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is 4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine
PubChem CID80909311
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC Name4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(Oc2ccc3ccccc3c2Br)nc(N)n1
InChIInChI=1S/C14H12BrN5O/c15-13-9-4-2-1-3-8(9)5-6-10(13)21-12-7-11(20-17)18-14(16)19-12/h1-7H,17H2,(H3,16,18,19,20)
InChIKeyBRMPDNVWXDTMAL-UHFFFAOYSA-N
XLogP3.05
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.05
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

4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine
CID 80916183
6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine
CID 80866646
6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine
CID 54910912
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
4-hydrazinyl-6-(2-methylquinolin-8-yl)oxypyrimidin-2-amine
CID 80912967
4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80915072
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline
CID 63457779
3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine
CID 61268643
4-(5-chloro-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80921660
4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 81499351
4-(1-bromonaphthalen-2-yl)oxypyrimidine
CID 61252042

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine (CID 80909311) is 4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine is NNc1cc(Oc2ccc3ccccc3c2Br)nc(N)n1.
What is the InChIKey of 4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine?
The InChIKey is BRMPDNVWXDTMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c15-13-9-4-2-1-3-8(9)5-6-10(13)21-12-7-11(20-17)18-14(16)19-12/h1-7H,17H2,(H3,16,18,19,20).
What are the key properties of 4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine?
4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine has a molecular weight of 346.19 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 80909311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).