N-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine

C23H21F3N6O2 — CID 58174256

IUPACN-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine
SMILESCOc1cc(C(F)(F)F)cc(Oc2cc(C)c(CCNc3ncnc4nccnc34)cc2C)n1
InChIInChI=1S/C23H21F3N6O2/c1-13-9-17(34-19-11-16(23(24,25)26)10-18(32-19)33-3)14(2)8-15(13)4-5-28-21-20-22(31-12-30-21)29-7-6-27-20/h6-12H,4-5H2,1-3H3,(H,28,29,30,31)
InChIKeyLJAIOXXPCDYGHJ-UHFFFAOYSA-N
MW470.46 g/mol
LogP4.91
Rot. Bonds7

About N-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine

N-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine (PubChem CID 58174256) has the molecular formula C23H21F3N6O2 and a molecular weight of 470.46 g/mol. Its IUPAC name is N-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine.

Molecular Properties

Compound NameN-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine
PubChem CID58174256
Molecular FormulaC23H21F3N6O2
Molecular Weight470.46 g/mol
Exact Mass470.17
IUPAC NameN-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine
SMILESCOc1cc(C(F)(F)F)cc(Oc2cc(C)c(CCNc3ncnc4nccnc34)cc2C)n1
InChIInChI=1S/C23H21F3N6O2/c1-13-9-17(34-19-11-16(23(24,25)26)10-18(32-19)33-3)14(2)8-15(13)4-5-28-21-20-22(31-12-30-21)29-7-6-27-20/h6-12H,4-5H2,1-3H3,(H,28,29,30,31)
InChIKeyLJAIOXXPCDYGHJ-UHFFFAOYSA-N
XLogP4.91
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine?
The IUPAC name of N-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine (CID 58174256) is N-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine.
What is the SMILES notation for N-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine?
The canonical SMILES for N-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine is COc1cc(C(F)(F)F)cc(Oc2cc(C)c(CCNc3ncnc4nccnc34)cc2C)n1.
What is the InChIKey of N-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine?
The InChIKey is LJAIOXXPCDYGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O2/c1-13-9-17(34-19-11-16(23(24,25)26)10-18(32-19)33-3)14(2)8-15(13)4-5-28-21-20-22(31-12-30-21)29-7-6-27-20/h6-12H,4-5H2,1-3H3,(H,28,29,30,31).
What are the key properties of N-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine?
N-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine has a molecular weight of 470.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]ethyl]pteridin-4-amine is sourced from PubChem (CID 58174256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).