6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate

C58H53FN22O9 — CID 173144305

IUPAC6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate
SMILESCCOc1nc(N)nc2ncc(-c3cc(F)ccc3OC)nc12.CCOc1nc(N)nc2ncc(-c3cc4ccccc4o3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(NC(=O)OC)cc3)nc12.CCOc1nc(N)nc2ncc(-c3cnoc3)nc12
InChIInChI=1S/C16H16N6O3.C16H13N5O2.C15H14FN5O2.C11H10N6O2/c1-3-25-14-12-13(21-15(17)22-14)18-8-11(20-12)9-4-6-10(7-5-9)19-16(23)24-2;1-2-22-15-13-14(20-16(17)21-15)18-8-10(19-13)12-7-9-5-3-4-6-11(9)23-12;1-3-23-14-12-13(20-15(17)21-14)18-7-10(19-12)9-6-8(16)4-5-11(9)22-2;1-2-18-10-8-9(16-11(12)17-10)13-4-7(15-8)6-3-14-19-5-6/h4-8H,3H2,1-2H3,(H,19,23)(H2,17,18,21,22);3-8H,2H2,1H3,(H2,17,18,20,21);4-7H,3H2,1-2H3,(H2,17,18,20,21);3-5H,2H2,1H3,(H2,12,13,16,17)
InChIKeyUPQSRPJNOYDRPO-UHFFFAOYSA-N
MW1221.20 g/mol
LogP8.33
Rot. Bonds14

About 6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate

6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate (PubChem CID 173144305) has the molecular formula C58H53FN22O9 and a molecular weight of 1221.20 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate
PubChem CID173144305
Molecular FormulaC58H53FN22O9
Molecular Weight1221.20 g/mol
Exact Mass1220.43
IUPAC Name6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate
SMILESCCOc1nc(N)nc2ncc(-c3cc(F)ccc3OC)nc12.CCOc1nc(N)nc2ncc(-c3cc4ccccc4o3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(NC(=O)OC)cc3)nc12.CCOc1nc(N)nc2ncc(-c3cnoc3)nc12
InChIInChI=1S/C16H16N6O3.C16H13N5O2.C15H14FN5O2.C11H10N6O2/c1-3-25-14-12-13(21-15(17)22-14)18-8-11(20-12)9-4-6-10(7-5-9)19-16(23)24-2;1-2-22-15-13-14(20-16(17)21-15)18-8-10(19-13)12-7-9-5-3-4-6-11(9)23-12;1-3-23-14-12-13(20-15(17)21-14)18-7-10(19-12)9-6-8(16)4-5-11(9)22-2;1-2-18-10-8-9(16-11(12)17-10)13-4-7(15-8)6-3-14-19-5-6/h4-8H,3H2,1-2H3,(H,19,23)(H2,17,18,21,22);3-8H,2H2,1H3,(H2,17,18,20,21);4-7H,3H2,1-2H3,(H2,17,18,20,21);3-5H,2H2,1H3,(H2,12,13,16,17)
InChIKeyUPQSRPJNOYDRPO-UHFFFAOYSA-N
XLogP8.33
TPSA433.97 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001221.20
LogP ≤ 58.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate?
The IUPAC name of 6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate (CID 173144305) is 6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate?
The canonical SMILES for 6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate is CCOc1nc(N)nc2ncc(-c3cc(F)ccc3OC)nc12.CCOc1nc(N)nc2ncc(-c3cc4ccccc4o3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(NC(=O)OC)cc3)nc12.CCOc1nc(N)nc2ncc(-c3cnoc3)nc12.
What is the InChIKey of 6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate?
The InChIKey is UPQSRPJNOYDRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3.C16H13N5O2.C15H14FN5O2.C11H10N6O2/c1-3-25-14-12-13(21-15(17)22-14)18-8-11(20-12)9-4-6-10(7-5-9)19-16(23)24-2;1-2-22-15-13-14(20-16(17)21-15)18-8-10(19-13)12-7-9-5-3-4-6-11(9)23-12;1-3-23-14-12-13(20-15(17)21-14)18-7-10(19-12)9-6-8(16)4-5-11(9)22-2;1-2-18-10-8-9(16-11(12)17-10)13-4-7(15-8)6-3-14-19-5-6/h4-8H,3H2,1-2H3,(H,19,23)(H2,17,18,21,22);3-8H,2H2,1H3,(H2,17,18,20,21);4-7H,3H2,1-2H3,(H2,17,18,20,21);3-5H,2H2,1H3,(H2,12,13,16,17).
What are the key properties of 6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate?
6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate has a molecular weight of 1221.20 g/mol, XLogP of 8.33, 14 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-4-ethoxypteridin-2-amine;4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine;4-ethoxy-6-(1,2-oxazol-4-yl)pteridin-2-amine;methyl N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]carbamate is sourced from PubChem (CID 173144305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).