[6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine

C14H17BrN4O — CID 82825316

IUPAC[6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(OCc2cccc(Br)c2)n1
InChIInChI=1S/C14H17BrN4O/c1-3-12-17-13(19-16)9(2)14(18-12)20-8-10-5-4-6-11(15)7-10/h4-7H,3,8,16H2,1-2H3,(H,17,18,19)
InChIKeyMFFUHQUIUPNIHN-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.97
Rot. Bonds5

About [6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine

[6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 82825316) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is [6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID82825316
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name[6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(OCc2cccc(Br)c2)n1
InChIInChI=1S/C14H17BrN4O/c1-3-12-17-13(19-16)9(2)14(18-12)20-8-10-5-4-6-11(15)7-10/h4-7H,3,8,16H2,1-2H3,(H,17,18,19)
InChIKeyMFFUHQUIUPNIHN-UHFFFAOYSA-N
XLogP2.97
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 82807711
[6-[(4-bromophenyl)methoxy]-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 82825311
(2,5-dimethyl-6-phenylmethoxypyrimidin-4-yl)hydrazine
CID 80910056
(2-ethyl-6-hexoxy-5-methylpyrimidin-4-yl)hydrazine
CID 81000285
[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000967
[6-[(3-chlorophenyl)methoxy]-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001537
2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine
CID 82824481
[2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine
CID 103408611
3-[(3-bromophenyl)methoxy]-2-methylaniline
CID 43437900
[2-[(3-bromophenyl)methoxy]-4-methyl-3-pyridinyl]methanamine
CID 82827715
N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyethanamine
CID 81001085
6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine
CID 82808541

Frequently Asked Questions

What is the IUPAC name of [6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine (CID 82825316) is [6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine is CCc1nc(NN)c(C)c(OCc2cccc(Br)c2)n1.
What is the InChIKey of [6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is MFFUHQUIUPNIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-3-12-17-13(19-16)9(2)14(18-12)20-8-10-5-4-6-11(15)7-10/h4-7H,3,8,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
[6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 337.22 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-bromophenyl)methoxy]-2-ethyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 82825316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).