[2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

C12H12Cl2N4O — CID 55062116

IUPAC[2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C12H12Cl2N4O/c1-19-6-7-5-10(18-15)17-12(16-7)11-8(13)3-2-4-9(11)14/h2-5H,6,15H2,1H3,(H,16,17,18)
InChIKeyYYILEBJDMUOOBK-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.88
Rot. Bonds4

About [2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

[2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (PubChem CID 55062116) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is [2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
PubChem CID55062116
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name[2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C12H12Cl2N4O/c1-19-6-7-5-10(18-15)17-12(16-7)11-8(13)3-2-4-9(11)14/h2-5H,6,15H2,1H3,(H,16,17,18)
InChIKeyYYILEBJDMUOOBK-UHFFFAOYSA-N
XLogP2.88
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (CID 55062116) is [2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is COCc1cc(NN)nc(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of [2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is YYILEBJDMUOOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-19-6-7-5-10(18-15)17-12(16-7)11-8(13)3-2-4-9(11)14/h2-5H,6,15H2,1H3,(H,16,17,18).
What are the key properties of [2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
[2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 299.16 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 55062116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).