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

C16H14F3N5O — CID 11473526

IUPAC4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine
SMILESCC(C)Oc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C16H14F3N5O/c1-8(2)25-14-12-13(23-15(20)24-14)21-7-11(22-12)9-3-5-10(6-4-9)16(17,18)19/h3-8H,1-2H3,(H2,20,21,23,24)
InChIKeyBBYOZRACGLZJDF-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.47
Rot. Bonds3

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

4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine (PubChem CID 11473526) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine
PubChem CID11473526
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine
SMILESCC(C)Oc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C16H14F3N5O/c1-8(2)25-14-12-13(23-15(20)24-14)21-7-11(22-12)9-3-5-10(6-4-9)16(17,18)19/h3-8H,1-2H3,(H2,20,21,23,24)
InChIKeyBBYOZRACGLZJDF-UHFFFAOYSA-N
XLogP3.47
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
The IUPAC name of 4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine (CID 11473526) is 4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine.
What is the SMILES notation for 4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
The canonical SMILES for 4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine is CC(C)Oc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
The InChIKey is BBYOZRACGLZJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-8(2)25-14-12-13(23-15(20)24-14)21-7-11(22-12)9-3-5-10(6-4-9)16(17,18)19/h3-8H,1-2H3,(H2,20,21,23,24).
What are the key properties of 4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine has a molecular weight of 349.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine is sourced from PubChem (CID 11473526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).