[4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine

C13H16N4O — CID 116904156

IUPAC[4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine
SMILESCOc1ccc(-c2ccnc(NN)n2)c(C)c1C
InChIInChI=1S/C13H16N4O/c1-8-9(2)12(18-3)5-4-10(8)11-6-7-15-13(16-11)17-14/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyPBLHSPOWKVWLRK-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.05
Rot. Bonds3

About [4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine

[4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine (PubChem CID 116904156) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is [4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine
PubChem CID116904156
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name[4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine
SMILESCOc1ccc(-c2ccnc(NN)n2)c(C)c1C
InChIInChI=1S/C13H16N4O/c1-8-9(2)12(18-3)5-4-10(8)11-6-7-15-13(16-11)17-14/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyPBLHSPOWKVWLRK-UHFFFAOYSA-N
XLogP2.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.05
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 [4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine (CID 116904156) is [4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine is COc1ccc(-c2ccnc(NN)n2)c(C)c1C.
What is the InChIKey of [4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine?
The InChIKey is PBLHSPOWKVWLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-9(2)12(18-3)5-4-10(8)11-6-7-15-13(16-11)17-14/h4-7H,14H2,1-3H3,(H,15,16,17).
What are the key properties of [4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine?
[4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine has a molecular weight of 244.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 116904156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).