6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine

C56H45Cl5F2N20O4 — CID 173146266

IUPAC6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccc(F)c(Cl)c3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(F)cc3Cl)nc12.CCOc1nc(N)nc2ncc(-c3cccc(Cl)c3Cl)nc12.CCOc1nc(N)nc2ncc(-c3ccccc3Cl)nc12
InChIInChI=1S/C14H11Cl2N5O.2C14H11ClFN5O.C14H12ClN5O/c1-2-22-13-11-12(20-14(17)21-13)18-6-9(19-11)7-4-3-5-8(15)10(7)16;1-2-22-13-11-12(20-14(17)21-13)18-6-10(19-11)7-3-4-9(16)8(15)5-7;1-2-22-13-11-12(20-14(17)21-13)18-6-10(19-11)8-4-3-7(16)5-9(8)15;1-2-21-13-11-12(19-14(16)20-13)17-7-10(18-11)8-5-3-4-6-9(8)15/h3*3-6H,2H2,1H3,(H2,17,18,20,21);3-7H,2H2,1H3,(H2,16,17,19,20)
InChIKeyPNUGFDDKOUOMHS-UHFFFAOYSA-N
MW1277.37 g/mol
LogP11.82
Rot. Bonds12

About 6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine

6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine (PubChem CID 173146266) has the molecular formula C56H45Cl5F2N20O4 and a molecular weight of 1277.37 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine
PubChem CID173146266
Molecular FormulaC56H45Cl5F2N20O4
Molecular Weight1277.37 g/mol
Exact Mass1274.23
IUPAC Name6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccc(F)c(Cl)c3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(F)cc3Cl)nc12.CCOc1nc(N)nc2ncc(-c3cccc(Cl)c3Cl)nc12.CCOc1nc(N)nc2ncc(-c3ccccc3Cl)nc12
InChIInChI=1S/C14H11Cl2N5O.2C14H11ClFN5O.C14H12ClN5O/c1-2-22-13-11-12(20-14(17)21-13)18-6-9(19-11)7-4-3-5-8(15)10(7)16;1-2-22-13-11-12(20-14(17)21-13)18-6-10(19-11)7-3-4-9(16)8(15)5-7;1-2-22-13-11-12(20-14(17)21-13)18-6-10(19-11)8-4-3-7(16)5-9(8)15;1-2-21-13-11-12(19-14(16)20-13)17-7-10(18-11)8-5-3-4-6-9(8)15/h3*3-6H,2H2,1H3,(H2,17,18,20,21);3-7H,2H2,1H3,(H2,16,17,19,20)
InChIKeyPNUGFDDKOUOMHS-UHFFFAOYSA-N
XLogP11.82
TPSA347.24 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001277.37
LogP ≤ 511.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine?
The IUPAC name of 6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine (CID 173146266) is 6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine.
What is the SMILES notation for 6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine?
The canonical SMILES for 6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine is CCOc1nc(N)nc2ncc(-c3ccc(F)c(Cl)c3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(F)cc3Cl)nc12.CCOc1nc(N)nc2ncc(-c3cccc(Cl)c3Cl)nc12.CCOc1nc(N)nc2ncc(-c3ccccc3Cl)nc12.
What is the InChIKey of 6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine?
The InChIKey is PNUGFDDKOUOMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5O.2C14H11ClFN5O.C14H12ClN5O/c1-2-22-13-11-12(20-14(17)21-13)18-6-9(19-11)7-4-3-5-8(15)10(7)16;1-2-22-13-11-12(20-14(17)21-13)18-6-10(19-11)7-3-4-9(16)8(15)5-7;1-2-22-13-11-12(20-14(17)21-13)18-6-10(19-11)8-4-3-7(16)5-9(8)15;1-2-21-13-11-12(19-14(16)20-13)17-7-10(18-11)8-5-3-4-6-9(8)15/h3*3-6H,2H2,1H3,(H2,17,18,20,21);3-7H,2H2,1H3,(H2,16,17,19,20).
What are the key properties of 6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine?
6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine has a molecular weight of 1277.37 g/mol, XLogP of 11.82, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(3-chloro-4-fluorophenyl)-4-ethoxypteridin-2-amine;6-(2-chlorophenyl)-4-ethoxypteridin-2-amine;6-(2,3-dichlorophenyl)-4-ethoxypteridin-2-amine is sourced from PubChem (CID 173146266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).