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

C15H13F3N4O — CID 90676294

IUPAC4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
SMILESFC(F)(F)CNc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)9-20-14-21-12-6-2-1-5-11(12)13(22-14)19-8-10-4-3-7-23-10/h1-7H,8-9H2,(H2,19,20,21,22)
InChIKeyGXFNEPASTCVXIP-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.81
Rot. Bonds5

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

4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine (PubChem CID 90676294) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
PubChem CID90676294
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
SMILESFC(F)(F)CNc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)9-20-14-21-12-6-2-1-5-11(12)13(22-14)19-8-10-4-3-7-23-10/h1-7H,8-9H2,(H2,19,20,21,22)
InChIKeyGXFNEPASTCVXIP-UHFFFAOYSA-N
XLogP3.81
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine (CID 90676294) is 4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine is FC(F)(F)CNc1nc(NCc2ccco2)c2ccccc2n1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine?
The InChIKey is GXFNEPASTCVXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c16-15(17,18)9-20-14-21-12-6-2-1-5-11(12)13(22-14)19-8-10-4-3-7-23-10/h1-7H,8-9H2,(H2,19,20,21,22).
What are the key properties of 4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine?
4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine has a molecular weight of 322.29 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 90676294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).