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

C21H17F3N6O — CID 58174061

IUPACN-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
SMILESCc1cc(CCNc2ncnc3nccnc23)ccc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H17F3N6O/c1-13-10-14(6-7-26-19-18-20(30-12-29-19)27-9-8-25-18)2-4-16(13)31-17-5-3-15(11-28-17)21(22,23)24/h2-5,8-12H,6-7H2,1H3,(H,26,27,29,30)
InChIKeyMMZKTZSIOJYDNO-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.59
Rot. Bonds6

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

N-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine (PubChem CID 58174061) has the molecular formula C21H17F3N6O and a molecular weight of 426.40 g/mol. Its IUPAC name is N-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine.

Molecular Properties

Compound NameN-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
PubChem CID58174061
Molecular FormulaC21H17F3N6O
Molecular Weight426.40 g/mol
Exact Mass426.14
IUPAC NameN-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
SMILESCc1cc(CCNc2ncnc3nccnc23)ccc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H17F3N6O/c1-13-10-14(6-7-26-19-18-20(30-12-29-19)27-9-8-25-18)2-4-16(13)31-17-5-3-15(11-28-17)21(22,23)24/h2-5,8-12H,6-7H2,1H3,(H,26,27,29,30)
InChIKeyMMZKTZSIOJYDNO-UHFFFAOYSA-N
XLogP4.59
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The IUPAC name of N-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine (CID 58174061) is N-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine.
What is the SMILES notation for N-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The canonical SMILES for N-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine is Cc1cc(CCNc2ncnc3nccnc23)ccc1Oc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
The InChIKey is MMZKTZSIOJYDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O/c1-13-10-14(6-7-26-19-18-20(30-12-29-19)27-9-8-25-18)2-4-16(13)31-17-5-3-15(11-28-17)21(22,23)24/h2-5,8-12H,6-7H2,1H3,(H,26,27,29,30).
What are the key properties of N-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine?
N-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine has a molecular weight of 426.40 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine is sourced from PubChem (CID 58174061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).