N-(furan-2-ylmethyl)quinazolin-2-amine

C13H11N3O — CID 68601841

IUPACN-(furan-2-ylmethyl)quinazolin-2-amine
SMILESc1coc(CNc2ncc3ccccc3n2)c1
InChIInChI=1S/C13H11N3O/c1-2-6-12-10(4-1)8-14-13(16-12)15-9-11-5-3-7-17-11/h1-8H,9H2,(H,14,15,16)
InChIKeyXFEFFBWOQDVRJO-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.83
Rot. Bonds3

About N-(furan-2-ylmethyl)quinazolin-2-amine

N-(furan-2-ylmethyl)quinazolin-2-amine (PubChem CID 68601841) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)quinazolin-2-amine
PubChem CID68601841
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC NameN-(furan-2-ylmethyl)quinazolin-2-amine
SMILESc1coc(CNc2ncc3ccccc3n2)c1
InChIInChI=1S/C13H11N3O/c1-2-6-12-10(4-1)8-14-13(16-12)15-9-11-5-3-7-17-11/h1-8H,9H2,(H,14,15,16)
InChIKeyXFEFFBWOQDVRJO-UHFFFAOYSA-N
XLogP2.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)quinazolin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)quinazolin-2-amine (CID 68601841) is N-(furan-2-ylmethyl)quinazolin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)quinazolin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)quinazolin-2-amine is c1coc(CNc2ncc3ccccc3n2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)quinazolin-2-amine?
The InChIKey is XFEFFBWOQDVRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-6-12-10(4-1)8-14-13(16-12)15-9-11-5-3-7-17-11/h1-8H,9H2,(H,14,15,16).
What are the key properties of N-(furan-2-ylmethyl)quinazolin-2-amine?
N-(furan-2-ylmethyl)quinazolin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)quinazolin-2-amine is sourced from PubChem (CID 68601841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).