2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C32H43N7 — CID 142618938

About 2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 142618938) has the molecular formula C32H43N7 and a molecular weight of 525.75 g/mol. Its IUPAC name is 2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
• PubChem CID: 142618938
• Molecular Formula: C32H43N7
• Molecular Weight: 525.75 g/mol
• Exact Mass: 525.36
• IUPAC Name: 2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
• SMILES: Cc1cc2c(C(C)(C)N)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CN(CCCCN(C)C)CC2
• InChI: InChI=1S/C32H43N7/c1-23-20-25-27(32(2,3)33)14-11-15-29(25)39(23)31-35-28-16-19-38(18-10-9-17-37(4)5)22-26(28)30(36-31)34-21-24-12-7-6-8-13-24/h6-8,11-15,20H,9-10,16-19,21-22,33H2,1-5H3,(H,34,35,36)
• InChIKey: HRAUSRKEKLNNBE-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 75.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.75
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The IUPAC name of 2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 142618938) is 2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The canonical SMILES for 2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1cc2c(C(C)(C)N)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CN(CCCCN(C)C)CC2.

What is the InChIKey of 2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The InChIKey is HRAUSRKEKLNNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7/c1-23-20-25-27(32(2,3)33)14-11-15-29(25)39(23)31-35-28-16-19-38(18-10-9-17-37(4)5)22-26(28)30(36-31)34-21-24-12-7-6-8-13-24/h6-8,11-15,20H,9-10,16-19,21-22,33H2,1-5H3,(H,34,35,36).

What are the key properties of 2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 525.75 g/mol, XLogP of 5.23, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-aminopropan-2-yl)-2-methylindol-1-yl]-N-benzyl-6-[4-(dimethylamino)butyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 142618938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).