[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine

C14H16N4O — CID 80969262

IUPAC[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1cccc(Oc2cc(NN)nc(C3CC3)n2)c1
InChIInChI=1S/C14H16N4O/c1-9-3-2-4-11(7-9)19-13-8-12(18-15)16-14(17-13)10-5-6-10/h2-4,7-8,10H,5-6,15H2,1H3,(H,16,17,18)
InChIKeyAWTPCJMMJYEQPK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.74
Rot. Bonds4

About [2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80969262) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80969262
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1cccc(Oc2cc(NN)nc(C3CC3)n2)c1
InChIInChI=1S/C14H16N4O/c1-9-3-2-4-11(7-9)19-13-8-12(18-15)16-14(17-13)10-5-6-10/h2-4,7-8,10H,5-6,15H2,1H3,(H,16,17,18)
InChIKeyAWTPCJMMJYEQPK-UHFFFAOYSA-N
XLogP2.74
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.74
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-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine (CID 80969262) is [2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine is Cc1cccc(Oc2cc(NN)nc(C3CC3)n2)c1.
What is the InChIKey of [2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is AWTPCJMMJYEQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-3-2-4-11(7-9)19-13-8-12(18-15)16-14(17-13)10-5-6-10/h2-4,7-8,10H,5-6,15H2,1H3,(H,16,17,18).
What are the key properties of [2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 256.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80969262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).