2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine

C19H22N8O — CID 71140123

About 2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine

2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine (PubChem CID 71140123) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine.

Molecular Properties

• Compound Name: 2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine
• PubChem CID: 71140123
• Molecular Formula: C19H22N8O
• Molecular Weight: 378.44 g/mol
• Exact Mass: 378.19
• IUPAC Name: 2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine
• SMILES: COc1ccc2nc(Nc3cnc(NCCN(C)C)nc3)c3[nH]ncc3c2c1
• InChI: InChI=1S/C19H22N8O/c1-27(2)7-6-20-19-21-9-12(10-22-19)24-18-17-15(11-23-26-17)14-8-13(28-3)4-5-16(14)25-18/h4-5,8-11H,6-7H2,1-3H3,(H,23,26)(H,24,25)(H,20,21,22)
• InChIKey: DSLQTADPZAAGPW-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 103.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.44
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine?

The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine (CID 71140123) is 2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine.

What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine?

The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine is COc1ccc2nc(Nc3cnc(NCCN(C)C)nc3)c3[nH]ncc3c2c1.

What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine?

The InChIKey is DSLQTADPZAAGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-27(2)7-6-20-19-21-9-12(10-22-19)24-18-17-15(11-23-26-17)14-8-13(28-3)4-5-16(14)25-18/h4-5,8-11H,6-7H2,1-3H3,(H,23,26)(H,24,25)(H,20,21,22).

What are the key properties of 2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine?

2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine has a molecular weight of 378.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-(dimethylamino)ethyl]-5-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyrimidine-2,5-diamine is sourced from PubChem (CID 71140123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).