6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine

C20H13ClF4N6O — CID 58174092

IUPAC6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
SMILESFc1cc(C(F)(F)F)cnc1Oc1ccc(CCNc2ncnc3ncc(Cl)nc23)cc1
InChIInChI=1S/C20H13ClF4N6O/c21-15-9-27-18-16(31-15)17(29-10-30-18)26-6-5-11-1-3-13(4-2-11)32-19-14(22)7-12(8-28-19)20(23,24)25/h1-4,7-10H,5-6H2,(H,26,27,29,30)
InChIKeyQKRHLYSOULAXRH-UHFFFAOYSA-N
MW464.81 g/mol
LogP5.07
Rot. Bonds6

About 6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine

6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine (PubChem CID 58174092) has the molecular formula C20H13ClF4N6O and a molecular weight of 464.81 g/mol. Its IUPAC name is 6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
PubChem CID58174092
Molecular FormulaC20H13ClF4N6O
Molecular Weight464.81 g/mol
Exact Mass464.08
IUPAC Name6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
SMILESFc1cc(C(F)(F)F)cnc1Oc1ccc(CCNc2ncnc3ncc(Cl)nc23)cc1
InChIInChI=1S/C20H13ClF4N6O/c21-15-9-27-18-16(31-15)17(29-10-30-18)26-6-5-11-1-3-13(4-2-11)32-19-14(22)7-12(8-28-19)20(23,24)25/h1-4,7-10H,5-6H2,(H,26,27,29,30)
InChIKeyQKRHLYSOULAXRH-UHFFFAOYSA-N
XLogP5.07
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.81
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dichloro-N-[2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131350
N-[2-[4-[(3,5,6-trifluoro-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174056
3-chloro-5-[4-[2-[(6-chloropteridin-4-yl)amino]ethyl]phenoxy]pyridine-4-carbonitrile
CID 58174165
5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131355
N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 51000642
N-[2-[4-[[2-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 58174236
N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338071
N-[2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174220
5-chloro-6-(trifluoromethyl)-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-(trifluoromethyl)pyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
CID 158592691
N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine;N-[2-[4-[4-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-yl]oxyphenyl]ethyl]pteridin-4-amine
CID 159535284
N-[2-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]ethyl]-5,8-difluoroquinazolin-4-amine
CID 59222987
N-[2-(4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174186

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The IUPAC name of 6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine (CID 58174092) is 6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The canonical SMILES for 6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine is Fc1cc(C(F)(F)F)cnc1Oc1ccc(CCNc2ncnc3ncc(Cl)nc23)cc1.
What is the InChIKey of 6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The InChIKey is QKRHLYSOULAXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF4N6O/c21-15-9-27-18-16(31-15)17(29-10-30-18)26-6-5-11-1-3-13(4-2-11)32-19-14(22)7-12(8-28-19)20(23,24)25/h1-4,7-10H,5-6H2,(H,26,27,29,30).
What are the key properties of 6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine has a molecular weight of 464.81 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine is sourced from PubChem (CID 58174092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).