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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C111H151N27O9 — CID 157151462

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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 157151462) has the molecular formula C111H151N27O9 and a molecular weight of 2007.61 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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 157151462
• Molecular Formula: C111H151N27O9
• Molecular Weight: 2007.61 g/mol
• Exact Mass: 2006.22
• 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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(OC(C)CCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCCN(Cc2ccccc2)C(=O)CN2CCN(C)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1.CCCCOc1nc(N)c2c(n1)N(CCC1CCN(Cc3ccccc3)CC1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)C(=O)C(=O)C2
• InChI: InChI=1S/C29H43N7O2.C25H35N5O2.C20H27N5O.C19H25N5O.C18H21N5O3/c1-4-5-18-38-29-31-27(30)25-19-23(2)20-36(28(25)32-29)13-9-12-35(21-24-10-7-6-8-11-24)26(37)22-34-16-14-33(3)15-17-34;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;1-5-6-15(4)26-20-23-18(21)17-9-13(2)11-25(19(17)24-20)12-16-8-7-14(3)22-10-16;1-4-5-8-25-19-22-17(20)16-9-13(2)11-24(18(16)23-19)12-15-7-6-14(3)21-10-15;1-3-4-7-26-18-21-15(19)13-8-14(24)17(25)23(16(13)22-18)10-12-6-5-11(2)20-9-12/h6-8,10-11H,2,4-5,9,12-22H2,1,3H3,(H2,30,31,32);4-8,19H,2-3,9-18H2,1H3,(H2,26,27,28);7-8,10,15H,2,5-6,9,11-12H2,1,3-4H3,(H2,21,23,24);6-7,10H,2,4-5,8-9,11-12H2,1,3H3,(H2,20,22,23);5-6,9H,3-4,7-8,10H2,1-2H3,(H2,19,21,22)
• InChIKey: ALHLCGXTPGXFDK-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 441.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 39
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2007.61
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 157151462) 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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(OC(C)CCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCCN(Cc2ccccc2)C(=O)CN2CCN(C)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1.CCCCOc1nc(N)c2c(n1)N(CCC1CCN(Cc3ccccc3)CC1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)C(=O)C(=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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is ALHLCGXTPGXFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N7O2.C25H35N5O2.C20H27N5O.C19H25N5O.C18H21N5O3/c1-4-5-18-38-29-31-27(30)25-19-23(2)20-36(28(25)32-29)13-9-12-35(21-24-10-7-6-8-11-24)26(37)22-34-16-14-33(3)15-17-34;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;1-5-6-15(4)26-20-23-18(21)17-9-13(2)11-25(19(17)24-20)12-16-8-7-14(3)22-10-16;1-4-5-8-25-19-22-17(20)16-9-13(2)11-24(18(16)23-19)12-15-7-6-14(3)21-10-15;1-3-4-7-26-18-21-15(19)13-8-14(24)17(25)23(16(13)22-18)10-12-6-5-11(2)20-9-12/h6-8,10-11H,2,4-5,9,12-22H2,1,3H3,(H2,30,31,32);4-8,19H,2-3,9-18H2,1H3,(H2,26,27,28);7-8,10,15H,2,5-6,9,11-12H2,1,3-4H3,(H2,21,23,24);6-7,10H,2,4-5,8-9,11-12H2,1,3H3,(H2,20,22,23);5-6,9H,3-4,7-8,10H2,1-2H3,(H2,19,21,22).

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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2007.61 g/mol, XLogP of 14.40, 39 rotatable bonds, 5 hydrogen bond donors, and 34 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-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 157151462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).