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

C22H19F3N6O — CID 51000731

IUPACN-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
SMILESCc1cc(Oc2ccc(C(F)(F)F)cn2)c(C)cc1CCNc1ncnc2nccnc12
InChIInChI=1S/C22H19F3N6O/c1-13-10-17(32-18-4-3-16(11-29-18)22(23,24)25)14(2)9-15(13)5-6-27-20-19-21(31-12-30-20)28-8-7-26-19/h3-4,7-12H,5-6H2,1-2H3,(H,27,28,30,31)
InChIKeyQOUHBMWCLXZONI-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.90
Rot. Bonds6

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

N-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine (PubChem CID 51000731) has the molecular formula C22H19F3N6O and a molecular weight of 440.43 g/mol. Its IUPAC name is N-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine.

Molecular Properties

Compound NameN-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
PubChem CID51000731
Molecular FormulaC22H19F3N6O
Molecular Weight440.43 g/mol
Exact Mass440.16
IUPAC NameN-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
SMILESCc1cc(Oc2ccc(C(F)(F)F)cn2)c(C)cc1CCNc1ncnc2nccnc12
InChIInChI=1S/C22H19F3N6O/c1-13-10-17(32-18-4-3-16(11-29-18)22(23,24)25)14(2)9-15(13)5-6-27-20-19-21(31-12-30-20)28-8-7-26-19/h3-4,7-12H,5-6H2,1-2H3,(H,27,28,30,31)
InChIKeyQOUHBMWCLXZONI-UHFFFAOYSA-N
XLogP4.90
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The IUPAC name of N-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine (CID 51000731) is N-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine.
What is the SMILES notation for N-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The canonical SMILES for N-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine is Cc1cc(Oc2ccc(C(F)(F)F)cn2)c(C)cc1CCNc1ncnc2nccnc12.
What is the InChIKey of N-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The InChIKey is QOUHBMWCLXZONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O/c1-13-10-17(32-18-4-3-16(11-29-18)22(23,24)25)14(2)9-15(13)5-6-27-20-19-21(31-12-30-20)28-8-7-26-19/h3-4,7-12H,5-6H2,1-2H3,(H,27,28,30,31).
What are the key properties of N-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
N-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine has a molecular weight of 440.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine is sourced from PubChem (CID 51000731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).