5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine

C99H108F3N35O12 — CID 173148350

IUPAC5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.CC(C)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.Nc1nc(N2CCOCC2)c2nc(-c3cc(F)c(F)c(F)c3)cnc2n1.Nc1nc(N2CCOCC2)c2nc(-c3ccc4c(c3)CC(=O)N4)cnc2n1
InChIInChI=1S/C24H30N8O5.C21H25N7O2.C20H23N7O2.C18H17N7O2.C16H13F3N6O/c1-24(2,3)37-23(35)29-17(13-33)21(34)27-15-6-4-14(5-7-15)16-12-26-19-18(28-16)20(31-22(25)30-19)32-8-10-36-11-9-32;1-21(2,3)19(29)24-14-6-4-13(5-7-14)15-12-23-17-16(25-15)18(27-20(22)26-17)28-8-10-30-11-9-28;1-12(2)19(28)23-14-5-3-13(4-6-14)15-11-22-17-16(24-15)18(26-20(21)25-17)27-7-9-29-10-8-27;19-18-23-16-15(17(24-18)25-3-5-27-6-4-25)22-13(9-20-16)10-1-2-12-11(7-10)8-14(26)21-12;17-9-5-8(6-10(18)12(9)19)11-7-21-14-13(22-11)15(24-16(20)23-14)25-1-3-26-4-2-25/h4-7,12,17,33H,8-11,13H2,1-3H3,(H,27,34)(H,29,35)(H2,25,26,30,31);4-7,12H,8-11H2,1-3H3,(H,24,29)(H2,22,23,26,27);3-6,11-12H,7-10H2,1-2H3,(H,23,28)(H2,21,22,25,26);1-2,7,9H,3-6,8H2,(H,21,26)(H2,19,20,23,24);5-7H,1-4H2,(H2,20,21,23,24)/t17-;;;;/m0..../s1
InChIKeyXPLPLIUZPQJOMQ-UYVPJCOTSA-N
MW2037.18 g/mol
LogP8.84
Rot. Bonds17

About 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine

5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine (PubChem CID 173148350) has the molecular formula C99H108F3N35O12 and a molecular weight of 2037.18 g/mol. Its IUPAC name is 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine.

Molecular Properties

Compound Name5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine
PubChem CID173148350
Molecular FormulaC99H108F3N35O12
Molecular Weight2037.18 g/mol
Exact Mass2035.89
IUPAC Name5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.CC(C)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.Nc1nc(N2CCOCC2)c2nc(-c3cc(F)c(F)c(F)c3)cnc2n1.Nc1nc(N2CCOCC2)c2nc(-c3ccc4c(c3)CC(=O)N4)cnc2n1
InChIInChI=1S/C24H30N8O5.C21H25N7O2.C20H23N7O2.C18H17N7O2.C16H13F3N6O/c1-24(2,3)37-23(35)29-17(13-33)21(34)27-15-6-4-14(5-7-15)16-12-26-19-18(28-16)20(31-22(25)30-19)32-8-10-36-11-9-32;1-21(2,3)19(29)24-14-6-4-13(5-7-14)15-12-23-17-16(25-15)18(27-20(22)26-17)28-8-10-30-11-9-28;1-12(2)19(28)23-14-5-3-13(4-6-14)15-11-22-17-16(24-15)18(26-20(21)25-17)27-7-9-29-10-8-27;19-18-23-16-15(17(24-18)25-3-5-27-6-4-25)22-13(9-20-16)10-1-2-12-11(7-10)8-14(26)21-12;17-9-5-8(6-10(18)12(9)19)11-7-21-14-13(22-11)15(24-16(20)23-14)25-1-3-26-4-2-25/h4-7,12,17,33H,8-11,13H2,1-3H3,(H,27,34)(H,29,35)(H2,25,26,30,31);4-7,12H,8-11H2,1-3H3,(H,24,29)(H2,22,23,26,27);3-6,11-12H,7-10H2,1-2H3,(H,23,28)(H2,21,22,25,26);1-2,7,9H,3-6,8H2,(H,21,26)(H2,19,20,23,24);5-7H,1-4H2,(H2,20,21,23,24)/t17-;;;;/m0..../s1
InChIKeyXPLPLIUZPQJOMQ-UYVPJCOTSA-N
XLogP8.84
TPSA625.21 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds17
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002037.18
LogP ≤ 58.84
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine?
The IUPAC name of 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine (CID 173148350) is 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine.
What is the SMILES notation for 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine?
The canonical SMILES for 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine is CC(C)(C)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.CC(C)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.Nc1nc(N2CCOCC2)c2nc(-c3cc(F)c(F)c(F)c3)cnc2n1.Nc1nc(N2CCOCC2)c2nc(-c3ccc4c(c3)CC(=O)N4)cnc2n1.
What is the InChIKey of 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine?
The InChIKey is XPLPLIUZPQJOMQ-UYVPJCOTSA-N. The full InChI is InChI=1S/C24H30N8O5.C21H25N7O2.C20H23N7O2.C18H17N7O2.C16H13F3N6O/c1-24(2,3)37-23(35)29-17(13-33)21(34)27-15-6-4-14(5-7-15)16-12-26-19-18(28-16)20(31-22(25)30-19)32-8-10-36-11-9-32;1-21(2,3)19(29)24-14-6-4-13(5-7-14)15-12-23-17-16(25-15)18(27-20(22)26-17)28-8-10-30-11-9-28;1-12(2)19(28)23-14-5-3-13(4-6-14)15-11-22-17-16(24-15)18(26-20(21)25-17)27-7-9-29-10-8-27;19-18-23-16-15(17(24-18)25-3-5-27-6-4-25)22-13(9-20-16)10-1-2-12-11(7-10)8-14(26)21-12;17-9-5-8(6-10(18)12(9)19)11-7-21-14-13(22-11)15(24-16(20)23-14)25-1-3-26-4-2-25/h4-7,12,17,33H,8-11,13H2,1-3H3,(H,27,34)(H,29,35)(H2,25,26,30,31);4-7,12H,8-11H2,1-3H3,(H,24,29)(H2,22,23,26,27);3-6,11-12H,7-10H2,1-2H3,(H,23,28)(H2,21,22,25,26);1-2,7,9H,3-6,8H2,(H,21,26)(H2,19,20,23,24);5-7H,1-4H2,(H2,20,21,23,24)/t17-;;;;/m0..../s1.
What are the key properties of 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine?
5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine has a molecular weight of 2037.18 g/mol, XLogP of 8.84, 17 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-1,3-dihydroindol-2-one;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2,2-dimethylpropanamide;N-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-2-methylpropanamide;tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamate;4-morpholin-4-yl-6-(3,4,5-trifluorophenyl)pteridin-2-amine is sourced from PubChem (CID 173148350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).