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

C14H17N3O2 — CID 80880152

IUPAC4-(oxan-4-ylmethoxy)quinazolin-2-amine
SMILESNc1nc(OCC2CCOCC2)c2ccccc2n1
InChIInChI=1S/C14H17N3O2/c15-14-16-12-4-2-1-3-11(12)13(17-14)19-9-10-5-7-18-8-6-10/h1-4,10H,5-9H2,(H2,15,16,17)
InChIKeyVIFNLJQZQLUSAW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.02
Rot. Bonds3

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

4-(oxan-4-ylmethoxy)quinazolin-2-amine (PubChem CID 80880152) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(oxan-4-ylmethoxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-(oxan-4-ylmethoxy)quinazolin-2-amine
PubChem CID80880152
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(oxan-4-ylmethoxy)quinazolin-2-amine
SMILESNc1nc(OCC2CCOCC2)c2ccccc2n1
InChIInChI=1S/C14H17N3O2/c15-14-16-12-4-2-1-3-11(12)13(17-14)19-9-10-5-7-18-8-6-10/h1-4,10H,5-9H2,(H2,15,16,17)
InChIKeyVIFNLJQZQLUSAW-UHFFFAOYSA-N
XLogP2.02
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethoxy)quinazolin-2-amine?
The IUPAC name of 4-(oxan-4-ylmethoxy)quinazolin-2-amine (CID 80880152) is 4-(oxan-4-ylmethoxy)quinazolin-2-amine.
What is the SMILES notation for 4-(oxan-4-ylmethoxy)quinazolin-2-amine?
The canonical SMILES for 4-(oxan-4-ylmethoxy)quinazolin-2-amine is Nc1nc(OCC2CCOCC2)c2ccccc2n1.
What is the InChIKey of 4-(oxan-4-ylmethoxy)quinazolin-2-amine?
The InChIKey is VIFNLJQZQLUSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-14-16-12-4-2-1-3-11(12)13(17-14)19-9-10-5-7-18-8-6-10/h1-4,10H,5-9H2,(H2,15,16,17).
What are the key properties of 4-(oxan-4-ylmethoxy)quinazolin-2-amine?
4-(oxan-4-ylmethoxy)quinazolin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethoxy)quinazolin-2-amine is sourced from PubChem (CID 80880152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).