[2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine

C14H17BrN4O — CID 63561231

IUPAC[2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(-c2ccc(OC)c(Br)c2)nc(NN)c1C
InChIInChI=1S/C14H17BrN4O/c1-4-11-8(2)13(19-16)18-14(17-11)9-5-6-12(20-3)10(15)7-9/h5-7H,4,16H2,1-3H3,(H,17,18,19)
InChIKeyAKKJYDWLMHAANZ-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.07
Rot. Bonds4

About [2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine

[2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 63561231) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is [2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID63561231
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name[2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(-c2ccc(OC)c(Br)c2)nc(NN)c1C
InChIInChI=1S/C14H17BrN4O/c1-4-11-8(2)13(19-16)18-14(17-11)9-5-6-12(20-3)10(15)7-9/h5-7H,4,16H2,1-3H3,(H,17,18,19)
InChIKeyAKKJYDWLMHAANZ-UHFFFAOYSA-N
XLogP3.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.07
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'}

Analyze [2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 65022452
[6-ethyl-2-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-yl]hydrazine
CID 63562540
2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65022448
[2-(2,4-dimethoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560270
2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045736
[2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560457
2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297498
[2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560844
[2-(4-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 79980375
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562
4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 106951384
2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine
CID 21232276

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine (CID 63561231) is [2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine is CCc1nc(-c2ccc(OC)c(Br)c2)nc(NN)c1C.
What is the InChIKey of [2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is AKKJYDWLMHAANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-4-11-8(2)13(19-16)18-14(17-11)9-5-6-12(20-3)10(15)7-9/h5-7H,4,16H2,1-3H3,(H,17,18,19).
What are the key properties of [2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine?
[2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 337.22 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63561231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).