2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine

C19H19FN4O — CID 2929638

IUPAC2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
SMILESFc1ccccc1Nc1nc(NCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C19H19FN4O/c20-15-8-2-4-10-17(15)23-19-22-16-9-3-1-7-14(16)18(24-19)21-12-13-6-5-11-25-13/h1-4,7-10,13H,5-6,11-12H2,(H2,21,22,23,24)
InChIKeyZGOVASAFQLMKPM-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.10
Rot. Bonds5

About 2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine

2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 2929638) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID2929638
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
SMILESFc1ccccc1Nc1nc(NCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C19H19FN4O/c20-15-8-2-4-10-17(15)23-19-22-16-9-3-1-7-14(16)18(24-19)21-12-13-6-5-11-25-13/h1-4,7-10,13H,5-6,11-12H2,(H2,21,22,23,24)
InChIKeyZGOVASAFQLMKPM-UHFFFAOYSA-N
XLogP4.10
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine (CID 2929638) is 2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine is Fc1ccccc1Nc1nc(NCC2CCCO2)c2ccccc2n1.
What is the InChIKey of 2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is ZGOVASAFQLMKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-15-8-2-4-10-17(15)23-19-22-16-9-3-1-7-14(16)18(24-19)21-12-13-6-5-11-25-13/h1-4,7-10,13H,5-6,11-12H2,(H2,21,22,23,24).
What are the key properties of 2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine?
2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 338.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 2929638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).