5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine

C19H14F2N6O — CID 67298464

IUPAC5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine
SMILESNc1ccc2nc(-c3cnccn3)nc(N)c2c1-c1cccc(OC(F)F)c1
InChIInChI=1S/C19H14F2N6O/c20-19(21)28-11-3-1-2-10(8-11)15-12(22)4-5-13-16(15)17(23)27-18(26-13)14-9-24-6-7-25-14/h1-9,19H,22H2,(H2,23,26,27)
InChIKeyHUBXOOPBGJGRGW-UHFFFAOYSA-N
MW380.36 g/mol
LogP3.52
Rot. Bonds4

About 5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine

5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine (PubChem CID 67298464) has the molecular formula C19H14F2N6O and a molecular weight of 380.36 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine
PubChem CID67298464
Molecular FormulaC19H14F2N6O
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine
SMILESNc1ccc2nc(-c3cnccn3)nc(N)c2c1-c1cccc(OC(F)F)c1
InChIInChI=1S/C19H14F2N6O/c20-19(21)28-11-3-1-2-10(8-11)15-12(22)4-5-13-16(15)17(23)27-18(26-13)14-9-24-6-7-25-14/h1-9,19H,22H2,(H2,23,26,27)
InChIKeyHUBXOOPBGJGRGW-UHFFFAOYSA-N
XLogP3.52
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine (CID 67298464) is 5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine is Nc1ccc2nc(-c3cnccn3)nc(N)c2c1-c1cccc(OC(F)F)c1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine?
The InChIKey is HUBXOOPBGJGRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O/c20-19(21)28-11-3-1-2-10(8-11)15-12(22)4-5-13-16(15)17(23)27-18(26-13)14-9-24-6-7-25-14/h1-9,19H,22H2,(H2,23,26,27).
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine?
5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine has a molecular weight of 380.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-2-pyrazin-2-ylquinazoline-4,6-diamine is sourced from PubChem (CID 67298464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).