6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine

C61H49F13N20O6 — CID 173146160

IUPAC6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(OC(F)(F)F)cc3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(OC)c(F)c3)nc12
InChIInChI=1S/C16H11F6N5O.C15H12F3N5O2.C15H12F3N5O.C15H14FN5O2/c1-2-28-13-11-12(26-14(23)27-13)24-6-10(25-11)7-3-8(15(17,18)19)5-9(4-7)16(20,21)22;1-2-24-13-11-12(22-14(19)23-13)20-7-10(21-11)8-3-5-9(6-4-8)25-15(16,17)18;1-2-24-13-11-12(22-14(19)23-13)20-7-10(21-11)8-3-5-9(6-4-8)15(16,17)18;1-3-23-14-12-13(20-15(17)21-14)18-7-10(19-12)8-4-5-11(22-2)9(16)6-8/h3-6H,2H2,1H3,(H2,23,24,26,27);3-7H,2H2,1H3,(H2,19,20,22,23);3-7H,2H2,1H3,(H2,19,20,22,23);4-7H,3H2,1-2H3,(H2,17,18,20,21)
InChIKeyOKZKEAZLSRKORC-UHFFFAOYSA-N
MW1405.17 g/mol
LogP12.37
Rot. Bonds14

About 6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine

6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine (PubChem CID 173146160) has the molecular formula C61H49F13N20O6 and a molecular weight of 1405.17 g/mol. Its IUPAC name is 6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine.

Molecular Properties

Compound Name6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine
PubChem CID173146160
Molecular FormulaC61H49F13N20O6
Molecular Weight1405.17 g/mol
Exact Mass1404.39
IUPAC Name6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(OC(F)(F)F)cc3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(OC)c(F)c3)nc12
InChIInChI=1S/C16H11F6N5O.C15H12F3N5O2.C15H12F3N5O.C15H14FN5O2/c1-2-28-13-11-12(26-14(23)27-13)24-6-10(25-11)7-3-8(15(17,18)19)5-9(4-7)16(20,21)22;1-2-24-13-11-12(22-14(19)23-13)20-7-10(21-11)8-3-5-9(6-4-8)25-15(16,17)18;1-2-24-13-11-12(22-14(19)23-13)20-7-10(21-11)8-3-5-9(6-4-8)15(16,17)18;1-3-23-14-12-13(20-15(17)21-14)18-7-10(19-12)8-4-5-11(22-2)9(16)6-8/h3-6H,2H2,1H3,(H2,23,24,26,27);3-7H,2H2,1H3,(H2,19,20,22,23);3-7H,2H2,1H3,(H2,19,20,22,23);4-7H,3H2,1-2H3,(H2,17,18,20,21)
InChIKeyOKZKEAZLSRKORC-UHFFFAOYSA-N
XLogP12.37
TPSA365.70 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001405.17
LogP ≤ 512.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
The IUPAC name of 6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine (CID 173146160) is 6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine.
What is the SMILES notation for 6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
The canonical SMILES for 6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine is CCOc1nc(N)nc2ncc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(OC(F)(F)F)cc3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(OC)c(F)c3)nc12.
What is the InChIKey of 6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
The InChIKey is OKZKEAZLSRKORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N5O.C15H12F3N5O2.C15H12F3N5O.C15H14FN5O2/c1-2-28-13-11-12(26-14(23)27-13)24-6-10(25-11)7-3-8(15(17,18)19)5-9(4-7)16(20,21)22;1-2-24-13-11-12(22-14(19)23-13)20-7-10(21-11)8-3-5-9(6-4-8)25-15(16,17)18;1-2-24-13-11-12(22-14(19)23-13)20-7-10(21-11)8-3-5-9(6-4-8)15(16,17)18;1-3-23-14-12-13(20-15(17)21-14)18-7-10(19-12)8-4-5-11(22-2)9(16)6-8/h3-6H,2H2,1H3,(H2,23,24,26,27);3-7H,2H2,1H3,(H2,19,20,22,23);3-7H,2H2,1H3,(H2,19,20,22,23);4-7H,3H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine?
6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine has a molecular weight of 1405.17 g/mol, XLogP of 12.37, 14 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis(trifluoromethyl)phenyl]-4-ethoxypteridin-2-amine;4-ethoxy-6-(3-fluoro-4-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethoxy)phenyl]pteridin-2-amine;4-ethoxy-6-[4-(trifluoromethyl)phenyl]pteridin-2-amine is sourced from PubChem (CID 173146160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).