N-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine

C20H14ClF3N6O — CID 58174222

IUPACN-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
SMILESFC(F)(F)c1nc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)ccc1Cl
InChIInChI=1S/C20H14ClF3N6O/c21-14-5-6-15(30-17(14)20(22,23)24)31-13-3-1-12(2-4-13)7-8-26-18-16-19(29-11-28-18)27-10-9-25-16/h1-6,9-11H,7-8H2,(H,26,27,28,29)
InChIKeyQXAQEHWADGVEJJ-UHFFFAOYSA-N
MW446.82 g/mol
LogP4.93
Rot. Bonds6

About N-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine

N-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine (PubChem CID 58174222) has the molecular formula C20H14ClF3N6O and a molecular weight of 446.82 g/mol. Its IUPAC name is N-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine.

Molecular Properties

Compound NameN-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
PubChem CID58174222
Molecular FormulaC20H14ClF3N6O
Molecular Weight446.82 g/mol
Exact Mass446.09
IUPAC NameN-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
SMILESFC(F)(F)c1nc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)ccc1Cl
InChIInChI=1S/C20H14ClF3N6O/c21-14-5-6-15(30-17(14)20(22,23)24)31-13-3-1-12(2-4-13)7-8-26-18-16-19(29-11-28-18)27-10-9-25-16/h1-6,9-11H,7-8H2,(H,26,27,28,29)
InChIKeyQXAQEHWADGVEJJ-UHFFFAOYSA-N
XLogP4.93
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.82
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The IUPAC name of N-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine (CID 58174222) is N-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine.
What is the SMILES notation for N-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The canonical SMILES for N-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine is FC(F)(F)c1nc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)ccc1Cl.
What is the InChIKey of N-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The InChIKey is QXAQEHWADGVEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N6O/c21-14-5-6-15(30-17(14)20(22,23)24)31-13-3-1-12(2-4-13)7-8-26-18-16-19(29-11-28-18)27-10-9-25-16/h1-6,9-11H,7-8H2,(H,26,27,28,29).
What are the key properties of N-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
N-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine has a molecular weight of 446.82 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine is sourced from PubChem (CID 58174222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).