6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride

C25H32Cl2N6O4 — CID 11678400

About 6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride

6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride (PubChem CID 11678400) has the molecular formula C25H32Cl2N6O4 and a molecular weight of 551.48 g/mol. Its IUPAC name is 6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride
• PubChem CID: 11678400
• Molecular Formula: C25H32Cl2N6O4
• Molecular Weight: 551.48 g/mol
• Exact Mass: 550.19
• IUPAC Name: 6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride
• SMILES: Cl.Cn1c(=O)c2c(c(C(=O)N3CCOCC3)c(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)n(C)c1=O
• InChI: InChI=1S/C25H31ClN6O4.ClH/c1-28-20-19(23(33)30-10-12-36-13-11-30)22(31-9-5-7-17(27)15-31)32(14-16-6-3-4-8-18(16)26)21(20)24(34)29(2)25(28)35;/h3-4,6,8,17H,5,7,9-15,27H2,1-2H3;1H/t17-;/m1./s1
• InChIKey: AHBHXGFHNVRALE-UNTBIKODSA-N
• XLogP: 1.56
• TPSA: 107.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.48
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride?

The IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride (CID 11678400) is 6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride.

What is the SMILES notation for 6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride?

The canonical SMILES for 6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride is Cl.Cn1c(=O)c2c(c(C(=O)N3CCOCC3)c(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)n(C)c1=O.

What is the InChIKey of 6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride?

The InChIKey is AHBHXGFHNVRALE-UNTBIKODSA-N. The full InChI is InChI=1S/C25H31ClN6O4.ClH/c1-28-20-19(23(33)30-10-12-36-13-11-30)22(31-9-5-7-17(27)15-31)32(14-16-6-3-4-8-18(16)26)21(20)24(34)29(2)25(28)35;/h3-4,6,8,17H,5,7,9-15,27H2,1-2H3;1H/t17-;/m1./s1.

What are the key properties of 6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride?

6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 551.48 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3R)-3-aminopiperidin-1-yl]-5-[(2-chlorophenyl)methyl]-1,3-dimethyl-7-(morpholine-4-carbonyl)pyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 11678400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).