[2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine

C15H18N4O — CID 80911518

IUPAC[2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine
SMILESC/C=C/c1ccccc1Oc1nc(C)nc(NN)c1C
InChIInChI=1S/C15H18N4O/c1-4-7-12-8-5-6-9-13(12)20-15-10(2)14(19-16)17-11(3)18-15/h4-9H,16H2,1-3H3,(H,17,18,19)/b7-4+
InChIKeyHGXCOMQTFXWUQZ-QPJJXVBHSA-N
MW270.34 g/mol
LogP3.20
Rot. Bonds4

About [2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine

[2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine (PubChem CID 80911518) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine
PubChem CID80911518
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine
SMILESC/C=C/c1ccccc1Oc1nc(C)nc(NN)c1C
InChIInChI=1S/C15H18N4O/c1-4-7-12-8-5-6-9-13(12)20-15-10(2)14(19-16)17-11(3)18-15/h4-9H,16H2,1-3H3,(H,17,18,19)/b7-4+
InChIKeyHGXCOMQTFXWUQZ-QPJJXVBHSA-N
XLogP3.20
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.20
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 [2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine (CID 80911518) is [2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine is C/C=C/c1ccccc1Oc1nc(C)nc(NN)c1C.
What is the InChIKey of [2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine?
The InChIKey is HGXCOMQTFXWUQZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H18N4O/c1-4-7-12-8-5-6-9-13(12)20-15-10(2)14(19-16)17-11(3)18-15/h4-9H,16H2,1-3H3,(H,17,18,19)/b7-4+.
What are the key properties of [2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine?
[2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine has a molecular weight of 270.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80911518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).