2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine

C62H72BrCl8N17O8 — CID 158583877

About 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine

2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine (PubChem CID 158583877) has the molecular formula C62H72BrCl8N17O8 and a molecular weight of 1546.90 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine.

Molecular Properties

• Compound Name: 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine
• PubChem CID: 158583877
• Molecular Formula: C62H72BrCl8N17O8
• Molecular Weight: 1546.90 g/mol
• Exact Mass: 1541.24
• IUPAC Name: 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine
• SMILES: C1COCCN1.ClCCBr.Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCCl)n1)CN(C(=O)NC1CC1)C2.Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCN3CCOCC3)n1)CN(C(=O)NC1CC1)C2.Nc1nc2c(c(-c3c(O)cc(Cl)cc3Cl)n1)CN(C(=O)NC1CC1)C2
• InChI: InChI=1S/C22H26Cl2N6O3.C18H18Cl3N5O2.C16H15Cl2N5O2.C4H9NO.C2H4BrCl/c23-13-9-16(24)19(18(10-13)33-8-5-29-3-6-32-7-4-29)20-15-11-30(22(31)26-14-1-2-14)12-17(15)27-21(25)28-20;19-3-4-28-14-6-9(20)5-12(21)15(14)16-11-7-26(18(27)23-10-1-2-10)8-13(11)24-17(22)25-16;17-7-3-10(18)13(12(24)4-7)14-9-5-23(16(25)20-8-1-2-8)6-11(9)21-15(19)22-14;1-3-6-4-2-5-1;3-1-2-4/h9-10,14H,1-8,11-12H2,(H,26,31)(H2,25,27,28);5-6,10H,1-4,7-8H2,(H,23,27)(H2,22,24,25);3-4,8,24H,1-2,5-6H2,(H,20,25)(H2,19,21,22);5H,1-4H2;1-2H2
• InChIKey: HTOWKYBNYWBXMR-UHFFFAOYSA-N
• XLogP: 10.92
• TPSA: 324.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1546.90
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine?

The IUPAC name of 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine (CID 158583877) is 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine.

What is the SMILES notation for 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine?

The canonical SMILES for 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine is C1COCCN1.ClCCBr.Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCCl)n1)CN(C(=O)NC1CC1)C2.Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCN3CCOCC3)n1)CN(C(=O)NC1CC1)C2.Nc1nc2c(c(-c3c(O)cc(Cl)cc3Cl)n1)CN(C(=O)NC1CC1)C2.

What is the InChIKey of 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine?

The InChIKey is HTOWKYBNYWBXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N6O3.C18H18Cl3N5O2.C16H15Cl2N5O2.C4H9NO.C2H4BrCl/c23-13-9-16(24)19(18(10-13)33-8-5-29-3-6-32-7-4-29)20-15-11-30(22(31)26-14-1-2-14)12-17(15)27-21(25)28-20;19-3-4-28-14-6-9(20)5-12(21)15(14)16-11-7-26(18(27)23-10-1-2-10)8-13(11)24-17(22)25-16;17-7-3-10(18)13(12(24)4-7)14-9-5-23(16(25)20-8-1-2-8)6-11(9)21-15(19)22-14;1-3-6-4-2-5-1;3-1-2-4/h9-10,14H,1-8,11-12H2,(H,26,31)(H2,25,27,28);5-6,10H,1-4,7-8H2,(H,23,27)(H2,22,24,25);3-4,8,24H,1-2,5-6H2,(H,20,25)(H2,19,21,22);5H,1-4H2;1-2H2.

What are the key properties of 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine?

2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine has a molecular weight of 1546.90 g/mol, XLogP of 10.92, 14 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-chloroethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-(2,4-dichloro-6-hydroxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-amino-N-cyclopropyl-4-[2,4-dichloro-6-(2-morpholin-4-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;1-bromo-2-chloroethane;morpholine is sourced from PubChem (CID 158583877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).