7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine

C14H16N4O2 — CID 90807244

IUPAC7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine
SMILESCONC1=CC(c2ccco2)Cc2nc(N)nc(C)c21
InChIInChI=1S/C14H16N4O2/c1-8-13-10(17-14(15)16-8)6-9(7-11(13)18-19-2)12-4-3-5-20-12/h3-5,7,9,18H,6H2,1-2H3,(H2,15,16,17)
InChIKeyQXPRKJQHHSAPKB-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.79
Rot. Bonds3

About 7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine

7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine (PubChem CID 90807244) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine.

Molecular Properties

Compound Name7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine
PubChem CID90807244
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine
SMILESCONC1=CC(c2ccco2)Cc2nc(N)nc(C)c21
InChIInChI=1S/C14H16N4O2/c1-8-13-10(17-14(15)16-8)6-9(7-11(13)18-19-2)12-4-3-5-20-12/h3-5,7,9,18H,6H2,1-2H3,(H2,15,16,17)
InChIKeyQXPRKJQHHSAPKB-UHFFFAOYSA-N
XLogP1.79
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine?
The IUPAC name of 7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine (CID 90807244) is 7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine.
What is the SMILES notation for 7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine?
The canonical SMILES for 7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine is CONC1=CC(c2ccco2)Cc2nc(N)nc(C)c21.
What is the InChIKey of 7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine?
The InChIKey is QXPRKJQHHSAPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-13-10(17-14(15)16-8)6-9(7-11(13)18-19-2)12-4-3-5-20-12/h3-5,7,9,18H,6H2,1-2H3,(H2,15,16,17).
What are the key properties of 7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine?
7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine has a molecular weight of 272.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-5-N-methoxy-4-methyl-7,8-dihydroquinazoline-2,5-diamine is sourced from PubChem (CID 90807244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).