[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine

C12H13BrN4O2 — CID 80914039

IUPAC[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine
SMILESCOc1cccc(COc2nc(NN)ncc2Br)c1
InChIInChI=1S/C12H13BrN4O2/c1-18-9-4-2-3-8(5-9)7-19-11-10(13)6-15-12(16-11)17-14/h2-6H,7,14H2,1H3,(H,15,16,17)
InChIKeyDUIVNLNUNNYWLU-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.11
Rot. Bonds5

About [5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine

[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine (PubChem CID 80914039) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is [5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine
PubChem CID80914039
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine
SMILESCOc1cccc(COc2nc(NN)ncc2Br)c1
InChIInChI=1S/C12H13BrN4O2/c1-18-9-4-2-3-8(5-9)7-19-11-10(13)6-15-12(16-11)17-14/h2-6H,7,14H2,1H3,(H,15,16,17)
InChIKeyDUIVNLNUNNYWLU-UHFFFAOYSA-N
XLogP2.11
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.11
H-Bond Donors ≤ 52
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

5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 61227713
[5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine
CID 80908991
5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80866160
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine
CID 80880225
3-[(3-methoxyphenyl)methoxy]quinoxalin-2-amine
CID 102987596
N-[3-(aminomethyl)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106999908
2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 24708484
[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80913199
[3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane
CID 59244002
5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one
CID 114675867
[6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine
CID 80906474

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine (CID 80914039) is [5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine is COc1cccc(COc2nc(NN)ncc2Br)c1.
What is the InChIKey of [5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine?
The InChIKey is DUIVNLNUNNYWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-18-9-4-2-3-8(5-9)7-19-11-10(13)6-15-12(16-11)17-14/h2-6H,7,14H2,1H3,(H,15,16,17).
What are the key properties of [5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine?
[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine has a molecular weight of 325.17 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80914039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).