[2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

C15H20N4O — CID 62904026

IUPAC[2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(Cc2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H20N4O/c1-10-4-5-12(6-11(10)2)7-14-17-13(9-20-3)8-15(18-14)19-16/h4-6,8H,7,9,16H2,1-3H3,(H,17,18,19)
InChIKeyLKOFCSNAFXWTNM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.12
Rot. Bonds5

About [2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

[2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (PubChem CID 62904026) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
PubChem CID62904026
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(Cc2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H20N4O/c1-10-4-5-12(6-11(10)2)7-14-17-13(9-20-3)8-15(18-14)19-16/h4-6,8H,7,9,16H2,1-3H3,(H,17,18,19)
InChIKeyLKOFCSNAFXWTNM-UHFFFAOYSA-N
XLogP2.12
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.12
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-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (CID 62904026) is [2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is COCc1cc(NN)nc(Cc2ccc(C)c(C)c2)n1.
What is the InChIKey of [2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is LKOFCSNAFXWTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-4-5-12(6-11(10)2)7-14-17-13(9-20-3)8-15(18-14)19-16/h4-6,8H,7,9,16H2,1-3H3,(H,17,18,19).
What are the key properties of [2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
[2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 272.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62904026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).