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

C111H157N27O7 — CID 159661708

About 4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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 159661708) has the molecular formula C111H157N27O7 and a molecular weight of 1981.66 g/mol. Its IUPAC name is 4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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: 159661708
• Molecular Formula: C111H157N27O7
• Molecular Weight: 1981.66 g/mol
• Exact Mass: 1980.28
• IUPAC Name: 4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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(CCCN(Cc2ccccc2)C(=O)CN2CCN(C)CC2)C1.C=C1Cc2c(N)nc(OC(C)CCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCN(CC3CC3)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1=O
• InChI: InChI=1S/C30H45N7O2.C23H37N5O.C20H27N5O.C19H23N5O2.C19H25N5O/c1-5-10-24(3)39-30-32-28(31)26-19-23(2)20-37(29(26)33-30)14-9-13-36(21-25-11-7-6-8-12-25)27(38)22-35-17-15-34(4)16-18-35;1-3-4-13-29-23-25-21(24)20-14-17(2)15-28(22(20)26-23)12-9-18-7-10-27(11-8-18)16-19-5-6-19;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;1-4-5-8-26-19-22-16(20)15-9-12(2)18(25)24(17(15)23-19)11-14-7-6-13(3)21-10-14;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/h6-8,11-12,24H,2,5,9-10,13-22H2,1,3-4H3,(H2,31,32,33);18-19H,2-16H2,1H3,(H2,24,25,26);7-8,10,15H,2,5-6,9,11-12H2,1,3-4H3,(H2,21,23,24);6-7,10H,2,4-5,8-9,11H2,1,3H3,(H2,20,22,23);6-7,10H,2,4-5,8-9,11-12H2,1,3H3,(H2,20,22,23)
• InChIKey: MSWWCDPFINNUIR-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 407.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 39
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1981.66
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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 159661708) is 4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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(CCCN(Cc2ccccc2)C(=O)CN2CCN(C)CC2)C1.C=C1Cc2c(N)nc(OC(C)CCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCN(CC3CC3)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1=O.

What is the InChIKey of 4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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 MSWWCDPFINNUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N7O2.C23H37N5O.C20H27N5O.C19H23N5O2.C19H25N5O/c1-5-10-24(3)39-30-32-28(31)26-19-23(2)20-37(29(26)33-30)14-9-13-36(21-25-11-7-6-8-12-25)27(38)22-35-17-15-34(4)16-18-35;1-3-4-13-29-23-25-21(24)20-14-17(2)15-28(22(20)26-23)12-9-18-7-10-27(11-8-18)16-19-5-6-19;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;1-4-5-8-26-19-22-16(20)15-9-12(2)18(25)24(17(15)23-19)11-14-7-6-13(3)21-10-14;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/h6-8,11-12,24H,2,5,9-10,13-22H2,1,3-4H3,(H2,31,32,33);18-19H,2-16H2,1H3,(H2,24,25,26);7-8,10,15H,2,5-6,9,11-12H2,1,3-4H3,(H2,21,23,24);6-7,10H,2,4-5,8-9,11H2,1,3H3,(H2,20,22,23);6-7,10H,2,4-5,8-9,11-12H2,1,3H3,(H2,20,22,23).

What are the key properties of 4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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 1981.66 g/mol, XLogP of 15.97, 39 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidin-7-one;N-[3-(4-amino-6-methylidene-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;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 159661708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).