N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine

C17H19F2N3O — CID 133473493

IUPACN-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine
SMILESFC(F)c1nc(NC2CCOC(C3CC3)C2)c2ccccc2n1
InChIInChI=1S/C17H19F2N3O/c18-15(19)17-21-13-4-2-1-3-12(13)16(22-17)20-11-7-8-23-14(9-11)10-5-6-10/h1-4,10-11,14-15H,5-9H2,(H,20,21,22)
InChIKeyJZVCPEBQLZKIPE-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.94
Rot. Bonds4

About N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine

N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine (PubChem CID 133473493) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine
PubChem CID133473493
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine
SMILESFC(F)c1nc(NC2CCOC(C3CC3)C2)c2ccccc2n1
InChIInChI=1S/C17H19F2N3O/c18-15(19)17-21-13-4-2-1-3-12(13)16(22-17)20-11-7-8-23-14(9-11)10-5-6-10/h1-4,10-11,14-15H,5-9H2,(H,20,21,22)
InChIKeyJZVCPEBQLZKIPE-UHFFFAOYSA-N
XLogP3.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine?
The IUPAC name of N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine (CID 133473493) is N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine is FC(F)c1nc(NC2CCOC(C3CC3)C2)c2ccccc2n1.
What is the InChIKey of N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine?
The InChIKey is JZVCPEBQLZKIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c18-15(19)17-21-13-4-2-1-3-12(13)16(22-17)20-11-7-8-23-14(9-11)10-5-6-10/h1-4,10-11,14-15H,5-9H2,(H,20,21,22).
What are the key properties of N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine?
N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine has a molecular weight of 319.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 133473493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).