4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine

C15H12F3N5O — CID 11404890

IUPAC4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H12F3N5O/c1-2-24-13-11-12(22-14(19)23-13)20-7-10(21-11)8-3-5-9(6-4-8)15(16,17)18/h3-7H,2H2,1H3,(H2,19,20,22,23)
InChIKeyVQGXHBCBFPFOEU-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.09
Rot. Bonds3

About 4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine

4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine (PubChem CID 11404890) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is 4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine
PubChem CID11404890
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC Name4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H12F3N5O/c1-2-24-13-11-12(22-14(19)23-13)20-7-10(21-11)8-3-5-9(6-4-8)15(16,17)18/h3-7H,2H2,1H3,(H2,19,20,22,23)
InChIKeyVQGXHBCBFPFOEU-UHFFFAOYSA-N
XLogP3.09
TPSA86.81 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
The IUPAC name of 4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine (CID 11404890) is 4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine.
What is the SMILES notation for 4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
The canonical SMILES for 4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine is CCOc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
The InChIKey is VQGXHBCBFPFOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c1-2-24-13-11-12(22-14(19)23-13)20-7-10(21-11)8-3-5-9(6-4-8)15(16,17)18/h3-7H,2H2,1H3,(H2,19,20,22,23).
What are the key properties of 4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine has a molecular weight of 335.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine is sourced from PubChem (CID 11404890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).