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

C20H15F3N6O — CID 50915148

IUPACN-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
SMILESFC(F)(F)c1ccnc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)c1
InChIInChI=1S/C20H15F3N6O/c21-20(22,23)14-6-8-24-16(11-14)30-15-3-1-13(2-4-15)5-7-26-18-17-19(29-12-28-18)27-10-9-25-17/h1-4,6,8-12H,5,7H2,(H,26,27,28,29)
InChIKeyZJBQPKXSQKKHKZ-UHFFFAOYSA-N
MW412.38 g/mol
LogP4.28
Rot. Bonds6

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

N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine (PubChem CID 50915148) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine.

Molecular Properties

Compound NameN-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
PubChem CID50915148
Molecular FormulaC20H15F3N6O
Molecular Weight412.38 g/mol
Exact Mass412.13
IUPAC NameN-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
SMILESFC(F)(F)c1ccnc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)c1
InChIInChI=1S/C20H15F3N6O/c21-20(22,23)14-6-8-24-16(11-14)30-15-3-1-13(2-4-15)5-7-26-18-17-19(29-12-28-18)27-10-9-25-17/h1-4,6,8-12H,5,7H2,(H,26,27,28,29)
InChIKeyZJBQPKXSQKKHKZ-UHFFFAOYSA-N
XLogP4.28
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The IUPAC name of N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine (CID 50915148) is N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine.
What is the SMILES notation for N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The canonical SMILES for N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine is FC(F)(F)c1ccnc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)c1.
What is the InChIKey of N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The InChIKey is ZJBQPKXSQKKHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O/c21-20(22,23)14-6-8-24-16(11-14)30-15-3-1-13(2-4-15)5-7-26-18-17-19(29-12-28-18)27-10-9-25-17/h1-4,6,8-12H,5,7H2,(H,26,27,28,29).
What are the key properties of N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine has a molecular weight of 412.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine is sourced from PubChem (CID 50915148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).