2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine

C18H16N4O2 — CID 6486745

IUPAC2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESc1coc(CNc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C18H16N4O2/c1-2-8-16-15(7-1)17(19-11-13-5-3-9-23-13)22-18(21-16)20-12-14-6-4-10-24-14/h1-10H,11-12H2,(H2,19,20,21,22)
InChIKeyKXVJCXFOVGJMGE-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.04
Rot. Bonds6

About 2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine

2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 6486745) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID6486745
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine
SMILESc1coc(CNc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C18H16N4O2/c1-2-8-16-15(7-1)17(19-11-13-5-3-9-23-13)22-18(21-16)20-12-14-6-4-10-24-14/h1-10H,11-12H2,(H2,19,20,21,22)
InChIKeyKXVJCXFOVGJMGE-UHFFFAOYSA-N
XLogP4.04
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine (CID 6486745) is 2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine is c1coc(CNc2nc(NCc3ccco3)c3ccccc3n2)c1.
What is the InChIKey of 2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is KXVJCXFOVGJMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-8-16-15(7-1)17(19-11-13-5-3-9-23-13)22-18(21-16)20-12-14-6-4-10-24-14/h1-10H,11-12H2,(H2,19,20,21,22).
What are the key properties of 2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine?
2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 320.35 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 6486745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).