4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C120H160N30O10 — CID 162226300

About 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 162226300) has the molecular formula C120H160N30O10 and a molecular weight of 2182.80 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 162226300
• Molecular Formula: C120H160N30O10
• Molecular Weight: 2182.80 g/mol
• Exact Mass: 2181.29
• IUPAC Name: 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(OCC3CCCO3)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCC3CCOC3)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(O[C@@H](C)CCC)nc2N(Cc2ccc(C)nc2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)C(=O)C(=O)C2
• InChI: InChI=1S/C23H37N5O.2C20H25N5O2.C20H27N5O.C19H25N5O.C18H21N5O3/c1-3-4-13-29-23-25-21(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;1-13-7-17-18(21)23-20(27-12-16-5-6-26-11-16)24-19(17)25(9-13)10-15-4-3-14(2)22-8-15;1-13-8-17-18(21)23-20(27-12-16-4-3-7-26-16)24-19(17)25(10-13)11-15-6-5-14(2)22-9-15;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/h18-19H,2-16H2,1H3,(H2,24,25,26);3-4,8,16H,1,5-7,9-12H2,2H3,(H2,21,23,24);5-6,9,16H,1,3-4,7-8,10-12H2,2H3,(H2,21,23,24);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)/t;;;15-;;/m...0../s1
• InChIKey: ZUUREMSZVUUXOI-VPPBVXFWSA-N
• XLogP: 16.51
• TPSA: 505.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 37
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2182.80
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

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-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 162226300) is 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(OCC3CCCO3)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCC3CCOC3)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(O[C@@H](C)CCC)nc2N(Cc2ccc(C)nc2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)C(=O)C(=O)C2.

What is the InChIKey of 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is ZUUREMSZVUUXOI-VPPBVXFWSA-N. The full InChI is InChI=1S/C23H37N5O.2C20H25N5O2.C20H27N5O.C19H25N5O.C18H21N5O3/c1-3-4-13-29-23-25-21(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;1-13-7-17-18(21)23-20(27-12-16-5-6-26-11-16)24-19(17)25(9-13)10-15-4-3-14(2)22-8-15;1-13-8-17-18(21)23-20(27-12-16-4-3-7-26-16)24-19(17)25(10-13)11-15-6-5-14(2)22-9-15;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/h18-19H,2-16H2,1H3,(H2,24,25,26);3-4,8,16H,1,5-7,9-12H2,2H3,(H2,21,23,24);5-6,9,16H,1,3-4,7-8,10-12H2,2H3,(H2,21,23,24);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)/t;;;15-;;/m...0../s1.

What are the key properties of 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2182.80 g/mol, XLogP of 16.51, 37 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;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-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 162226300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).