N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine

C19H10F6N6 — CID 46202914

IUPACN-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3nc(-c4ncccc4C(F)(F)F)cnc23)cc1
InChIInChI=1S/C19H10F6N6/c20-18(21,22)10-3-5-11(6-4-10)30-16-15-17(29-9-28-16)31-13(8-27-15)14-12(19(23,24)25)2-1-7-26-14/h1-9H,(H,28,29,30,31)
InChIKeyFMUUOSKGOPDNLL-UHFFFAOYSA-N
MW436.32 g/mol
LogP5.26
Rot. Bonds3

About N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine

N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine (PubChem CID 46202914) has the molecular formula C19H10F6N6 and a molecular weight of 436.32 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine
PubChem CID46202914
Molecular FormulaC19H10F6N6
Molecular Weight436.32 g/mol
Exact Mass436.09
IUPAC NameN-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3nc(-c4ncccc4C(F)(F)F)cnc23)cc1
InChIInChI=1S/C19H10F6N6/c20-18(21,22)10-3-5-11(6-4-10)30-16-15-17(29-9-28-16)31-13(8-27-15)14-12(19(23,24)25)2-1-7-26-14/h1-9H,(H,28,29,30,31)
InChIKeyFMUUOSKGOPDNLL-UHFFFAOYSA-N
XLogP5.26
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.32
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine (CID 46202914) is N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine is FC(F)(F)c1ccc(Nc2ncnc3nc(-c4ncccc4C(F)(F)F)cnc23)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine?
The InChIKey is FMUUOSKGOPDNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F6N6/c20-18(21,22)10-3-5-11(6-4-10)30-16-15-17(29-9-28-16)31-13(8-27-15)14-12(19(23,24)25)2-1-7-26-14/h1-9H,(H,28,29,30,31).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine?
N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine has a molecular weight of 436.32 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pteridin-4-amine is sourced from PubChem (CID 46202914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).