2-(oxan-4-yloxy)quinazolin-4-amine

C13H15N3O2 — CID 123642134

IUPAC2-(oxan-4-yloxy)quinazolin-4-amine
SMILESNc1nc(OC2CCOCC2)nc2ccccc12
InChIInChI=1S/C13H15N3O2/c14-12-10-3-1-2-4-11(10)15-13(16-12)18-9-5-7-17-8-6-9/h1-4,9H,5-8H2,(H2,14,15,16)
InChIKeyQVINYBDPUNHLOB-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.77
Rot. Bonds2

About 2-(oxan-4-yloxy)quinazolin-4-amine

2-(oxan-4-yloxy)quinazolin-4-amine (PubChem CID 123642134) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(oxan-4-yloxy)quinazolin-4-amine.

Molecular Properties

Compound Name2-(oxan-4-yloxy)quinazolin-4-amine
PubChem CID123642134
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(oxan-4-yloxy)quinazolin-4-amine
SMILESNc1nc(OC2CCOCC2)nc2ccccc12
InChIInChI=1S/C13H15N3O2/c14-12-10-3-1-2-4-11(10)15-13(16-12)18-9-5-7-17-8-6-9/h1-4,9H,5-8H2,(H2,14,15,16)
InChIKeyQVINYBDPUNHLOB-UHFFFAOYSA-N
XLogP1.77
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yloxy)quinazolin-4-amine?
The IUPAC name of 2-(oxan-4-yloxy)quinazolin-4-amine (CID 123642134) is 2-(oxan-4-yloxy)quinazolin-4-amine.
What is the SMILES notation for 2-(oxan-4-yloxy)quinazolin-4-amine?
The canonical SMILES for 2-(oxan-4-yloxy)quinazolin-4-amine is Nc1nc(OC2CCOCC2)nc2ccccc12.
What is the InChIKey of 2-(oxan-4-yloxy)quinazolin-4-amine?
The InChIKey is QVINYBDPUNHLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-12-10-3-1-2-4-11(10)15-13(16-12)18-9-5-7-17-8-6-9/h1-4,9H,5-8H2,(H2,14,15,16).
What are the key properties of 2-(oxan-4-yloxy)quinazolin-4-amine?
2-(oxan-4-yloxy)quinazolin-4-amine has a molecular weight of 245.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yloxy)quinazolin-4-amine is sourced from PubChem (CID 123642134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).