2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine

C30H38N8O2 — CID 19961996

About 2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine

2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine (PubChem CID 19961996) has the molecular formula C30H38N8O2 and a molecular weight of 542.69 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine.

Molecular Properties

• Compound Name: 2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine
• PubChem CID: 19961996
• Molecular Formula: C30H38N8O2
• Molecular Weight: 542.69 g/mol
• Exact Mass: 542.31
• IUPAC Name: 2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine
• SMILES: COc1cc(CN(C)c2ncnc3c(N4CCOCC4)nc(N4CCC(N(C)C)CC4)nc23)cc2ccccc12
• InChI: InChI=1S/C30H38N8O2/c1-35(2)23-9-11-38(12-10-23)30-33-27-26(29(34-30)37-13-15-40-16-14-37)31-20-32-28(27)36(3)19-21-17-22-7-5-6-8-24(22)25(18-21)39-4/h5-8,17-18,20,23H,9-16,19H2,1-4H3
• InChIKey: LYBFPSWHKYFGQS-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 82.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.69
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine?

The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine (CID 19961996) is 2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine.

What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine?

The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine is COc1cc(CN(C)c2ncnc3c(N4CCOCC4)nc(N4CCC(N(C)C)CC4)nc23)cc2ccccc12.

What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine?

The InChIKey is LYBFPSWHKYFGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8O2/c1-35(2)23-9-11-38(12-10-23)30-33-27-26(29(34-30)37-13-15-40-16-14-37)31-20-32-28(27)36(3)19-21-17-22-7-5-6-8-24(22)25(18-21)39-4/h5-8,17-18,20,23H,9-16,19H2,1-4H3.

What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine?

2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine has a molecular weight of 542.69 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(dimethylamino)piperidin-1-yl]-N-[(4-methoxynaphthalen-2-yl)methyl]-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine is sourced from PubChem (CID 19961996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).