(6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine

C14H14N4O — CID 106795688

IUPAC(6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine
SMILESC#CC(C)Oc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C14H14N4O/c1-3-10(2)19-13-9-12(18-15)16-14(17-13)11-7-5-4-6-8-11/h1,4-10H,15H2,2H3,(H,16,17,18)
InChIKeyPCXSMDBWIIIOLI-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.83
Rot. Bonds4

About (6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine

(6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine (PubChem CID 106795688) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is (6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine
PubChem CID106795688
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name(6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine
SMILESC#CC(C)Oc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C14H14N4O/c1-3-10(2)19-13-9-12(18-15)16-14(17-13)11-7-5-4-6-8-11/h1,4-10H,15H2,2H3,(H,16,17,18)
InChIKeyPCXSMDBWIIIOLI-UHFFFAOYSA-N
XLogP1.83
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.83
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine (CID 106795688) is (6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine is C#CC(C)Oc1cc(NN)nc(-c2ccccc2)n1.
What is the InChIKey of (6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine?
The InChIKey is PCXSMDBWIIIOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-10(2)19-13-9-12(18-15)16-14(17-13)11-7-5-4-6-8-11/h1,4-10H,15H2,2H3,(H,16,17,18).
What are the key properties of (6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine?
(6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine has a molecular weight of 254.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 106795688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).