N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine

C15H12F3N5O — CID 146574673

IUPACN-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
SMILESFc1nc(Nc2cccc(F)c2F)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C15H12F3N5O/c16-8-3-1-4-9(11(8)17)20-13-12-14(22-15(18)21-13)23(7-19-12)10-5-2-6-24-10/h1,3-4,7,10H,2,5-6H2,(H,20,21,22)
InChIKeyMYXKHOLQRLVNMO-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.30
Rot. Bonds3

About N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine

N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine (PubChem CID 146574673) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
PubChem CID146574673
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC NameN-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
SMILESFc1nc(Nc2cccc(F)c2F)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C15H12F3N5O/c16-8-3-1-4-9(11(8)17)20-13-12-14(22-15(18)21-13)23(7-19-12)10-5-2-6-24-10/h1,3-4,7,10H,2,5-6H2,(H,20,21,22)
InChIKeyMYXKHOLQRLVNMO-UHFFFAOYSA-N
XLogP3.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine?
The IUPAC name of N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine (CID 146574673) is N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine?
The canonical SMILES for N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine is Fc1nc(Nc2cccc(F)c2F)c2ncn(C3CCCO3)c2n1.
What is the InChIKey of N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine?
The InChIKey is MYXKHOLQRLVNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c16-8-3-1-4-9(11(8)17)20-13-12-14(22-15(18)21-13)23(7-19-12)10-5-2-6-24-10/h1,3-4,7,10H,2,5-6H2,(H,20,21,22).
What are the key properties of N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine?
N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine has a molecular weight of 335.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine is sourced from PubChem (CID 146574673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).