[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine

C18H18N4O2 — CID 869765

IUPAC[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(NN)n2)cc1OC
InChIInChI=1S/C18H18N4O2/c1-23-16-9-8-13(10-17(16)24-2)15-11-14(20-18(21-15)22-19)12-6-4-3-5-7-12/h3-11H,19H2,1-2H3,(H,20,21,22)
InChIKeyQAHFCUQWQJAXMZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.11
Rot. Bonds5

About [4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine

[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine (PubChem CID 869765) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
PubChem CID869765
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(NN)n2)cc1OC
InChIInChI=1S/C18H18N4O2/c1-23-16-9-8-13(10-17(16)24-2)15-11-14(20-18(21-15)22-19)12-6-4-3-5-7-12/h3-11H,19H2,1-2H3,(H,20,21,22)
InChIKeyQAHFCUQWQJAXMZ-UHFFFAOYSA-N
XLogP3.11
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine (CID 869765) is [4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine is COc1ccc(-c2cc(-c3ccccc3)nc(NN)n2)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine?
The InChIKey is QAHFCUQWQJAXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-23-16-9-8-13(10-17(16)24-2)15-11-14(20-18(21-15)22-19)12-6-4-3-5-7-12/h3-11H,19H2,1-2H3,(H,20,21,22).
What are the key properties of [4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine?
[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine has a molecular weight of 322.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 869765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).