6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine

C14H11F2N5O — CID 68774069

IUPAC6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cc(F)ccc3F)nc12
InChIInChI=1S/C14H11F2N5O/c1-2-22-13-11-12(20-14(17)21-13)18-6-10(19-11)8-5-7(15)3-4-9(8)16/h3-6H,2H2,1H3,(H2,17,18,20,21)
InChIKeyPFVZZSOWYRCBRP-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.35
Rot. Bonds3

About 6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine

6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine (PubChem CID 68774069) has the molecular formula C14H11F2N5O and a molecular weight of 303.27 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine
PubChem CID68774069
Molecular FormulaC14H11F2N5O
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cc(F)ccc3F)nc12
InChIInChI=1S/C14H11F2N5O/c1-2-22-13-11-12(20-14(17)21-13)18-6-10(19-11)8-5-7(15)3-4-9(8)16/h3-6H,2H2,1H3,(H2,17,18,20,21)
InChIKeyPFVZZSOWYRCBRP-UHFFFAOYSA-N
XLogP2.35
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine?
The IUPAC name of 6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine (CID 68774069) is 6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine is CCOc1nc(N)nc2ncc(-c3cc(F)ccc3F)nc12.
What is the InChIKey of 6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine?
The InChIKey is PFVZZSOWYRCBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O/c1-2-22-13-11-12(20-14(17)21-13)18-6-10(19-11)8-5-7(15)3-4-9(8)16/h3-6H,2H2,1H3,(H2,17,18,20,21).
What are the key properties of 6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine?
6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine has a molecular weight of 303.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine is sourced from PubChem (CID 68774069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).