4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C72H101N17O7 — CID 159726409

About 4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 159726409) has the molecular formula C72H101N17O7 and a molecular weight of 1316.71 g/mol. Its IUPAC name is 4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• PubChem CID: 159726409
• Molecular Formula: C72H101N17O7
• Molecular Weight: 1316.71 g/mol
• Exact Mass: 1315.81
• IUPAC Name: 4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• SMILES: CCCC(C)Oc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(CCC1CCN(Cc3ccccc3)CC1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(CCCN(Cc1ccccc1)C(=O)CN1CCN(C)CC1)CC(=O)C2
• InChI: InChI=1S/C28H41N7O3.C25H35N5O2.C19H25N5O2/c1-3-4-17-38-28-30-26(29)24-18-23(36)20-35(27(24)31-28)12-8-11-34(19-22-9-6-5-7-10-22)25(37)21-33-15-13-32(2)14-16-33;1-2-3-15-32-25-27-23(26)22-16-21(31)18-30(24(22)28-25)14-11-19-9-12-29(13-10-19)17-20-7-5-4-6-8-20;1-4-5-13(3)26-19-22-17(20)16-8-15(25)11-24(18(16)23-19)10-14-7-6-12(2)21-9-14/h5-7,9-10H,3-4,8,11-21H2,1-2H3,(H2,29,30,31);4-8,19H,2-3,9-18H2,1H3,(H2,26,27,28);6-7,9,13H,4-5,8,10-11H2,1-3H3,(H2,20,22,23)
• InChIKey: NARMVDNVMSETPG-UHFFFAOYSA-N
• XLogP: 7.77
• TPSA: 286.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1316.71
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 159726409) is 4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is CCCC(C)Oc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(CCC1CCN(Cc3ccccc3)CC1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(CCCN(Cc1ccccc1)C(=O)CN1CCN(C)CC1)CC(=O)C2.

What is the InChIKey of 4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The InChIKey is NARMVDNVMSETPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N7O3.C25H35N5O2.C19H25N5O2/c1-3-4-17-38-28-30-26(29)24-18-23(36)20-35(27(24)31-28)12-8-11-34(19-22-9-6-5-7-10-22)25(37)21-33-15-13-32(2)14-16-33;1-2-3-15-32-25-27-23(26)22-16-21(31)18-30(24(22)28-25)14-11-19-9-12-29(13-10-19)17-20-7-5-4-6-8-20;1-4-5-13(3)26-19-22-17(20)16-8-15(25)11-24(18(16)23-19)10-14-7-6-12(2)21-9-14/h5-7,9-10H,3-4,8,11-21H2,1-2H3,(H2,29,30,31);4-8,19H,2-3,9-18H2,1H3,(H2,26,27,28);6-7,9,13H,4-5,8,10-11H2,1-3H3,(H2,20,22,23).

What are the key properties of 4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 1316.71 g/mol, XLogP of 7.77, 27 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159726409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).