2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C20H19Cl2N7O2 — CID 59275841

About 2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 59275841) has the molecular formula C20H19Cl2N7O2 and a molecular weight of 460.33 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
• PubChem CID: 59275841
• Molecular Formula: C20H19Cl2N7O2
• Molecular Weight: 460.33 g/mol
• Exact Mass: 459.10
• IUPAC Name: 2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
• SMILES: Nc1nc2c(c(-c3cc(OCc4ncc[nH]4)c(Cl)cc3Cl)n1)CN(C(=O)NC1CC1)C2
• InChI: InChI=1S/C20H19Cl2N7O2/c21-13-6-14(22)16(31-9-17-24-3-4-25-17)5-11(13)18-12-7-29(20(30)26-10-1-2-10)8-15(12)27-19(23)28-18/h3-6,10H,1-2,7-9H2,(H,24,25)(H,26,30)(H2,23,27,28)
• InChIKey: DODRZLRIMVEDJN-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 122.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.33
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 59275841) is 2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is Nc1nc2c(c(-c3cc(OCc4ncc[nH]4)c(Cl)cc3Cl)n1)CN(C(=O)NC1CC1)C2.

What is the InChIKey of 2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?

The InChIKey is DODRZLRIMVEDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N7O2/c21-13-6-14(22)16(31-9-17-24-3-4-25-17)5-11(13)18-12-7-29(20(30)26-10-1-2-10)8-15(12)27-19(23)28-18/h3-6,10H,1-2,7-9H2,(H,24,25)(H,26,30)(H2,23,27,28).

What are the key properties of 2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?

2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 460.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-cyclopropyl-4-[2,4-dichloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59275841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).