N-(furan-3-ylmethyl)quinazolin-2-amine

C13H11N3O — CID 114789324

IUPACN-(furan-3-ylmethyl)quinazolin-2-amine
SMILESc1ccc2nc(NCc3ccoc3)ncc2c1
InChIInChI=1S/C13H11N3O/c1-2-4-12-11(3-1)8-15-13(16-12)14-7-10-5-6-17-9-10/h1-6,8-9H,7H2,(H,14,15,16)
InChIKeyGLEAAJJJGUUDQO-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.83
Rot. Bonds3

About N-(furan-3-ylmethyl)quinazolin-2-amine

N-(furan-3-ylmethyl)quinazolin-2-amine (PubChem CID 114789324) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)quinazolin-2-amine
PubChem CID114789324
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC NameN-(furan-3-ylmethyl)quinazolin-2-amine
SMILESc1ccc2nc(NCc3ccoc3)ncc2c1
InChIInChI=1S/C13H11N3O/c1-2-4-12-11(3-1)8-15-13(16-12)14-7-10-5-6-17-9-10/h1-6,8-9H,7H2,(H,14,15,16)
InChIKeyGLEAAJJJGUUDQO-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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Related Compounds

4-[(quinazolin-2-ylamino)methyl]phenol
CID 114789330
N-[(4-aminophenyl)methyl]quinazolin-2-amine
CID 114789553
N-(2H-benzotriazol-5-ylmethyl)quinazolin-2-amine
CID 167884841
N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
CID 114789025
N-[(4-nitrophenyl)methyl]quinazolin-2-amine
CID 114788894
N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine
CID 114789197
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
N-(furan-3-ylmethyl)quinolin-6-amine
CID 63204697
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826
3-(quinazolin-2-ylamino)propane-1,2-diol
CID 114789175
N-(cyclopentylmethyl)quinazolin-2-amine
CID 114788866

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)quinazolin-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)quinazolin-2-amine (CID 114789324) is N-(furan-3-ylmethyl)quinazolin-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)quinazolin-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)quinazolin-2-amine is c1ccc2nc(NCc3ccoc3)ncc2c1.
What is the InChIKey of N-(furan-3-ylmethyl)quinazolin-2-amine?
The InChIKey is GLEAAJJJGUUDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-4-12-11(3-1)8-15-13(16-12)14-7-10-5-6-17-9-10/h1-6,8-9H,7H2,(H,14,15,16).
What are the key properties of N-(furan-3-ylmethyl)quinazolin-2-amine?
N-(furan-3-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-3-ylmethyl)quinazolin-2-amine is sourced from PubChem (CID 114789324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).