2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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

C126H166N30O9 — CID 159332105

About 2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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

2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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 159332105) has the molecular formula C126H166N30O9 and a molecular weight of 2244.91 g/mol. Its IUPAC name is 2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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: 2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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: 159332105
• Molecular Formula: C126H166N30O9
• Molecular Weight: 2244.91 g/mol
• Exact Mass: 2243.35
• IUPAC Name: 2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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(OCC3CCOCC3)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1(C)C.C=C1Cc2c(N)nc(O[C@@H](C)CCC)nc2N(Cc2ccc(C)nc2)C1
• InChI: InChI=1S/C26H37N5O.C21H27N5O2.2C20H25N5O2.C20H27N5O.C19H25N5O/c1-5-6-14-32-25-28-23(27)22-15-19(2)26(3,4)31(24(22)29-25)18-21-11-9-10-20(16-21)17-30-12-7-8-13-30;1-14-9-18-19(22)24-21(28-13-16-5-7-27-8-6-16)25-20(18)26(11-14)12-17-4-3-15(2)23-10-17;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/h9-11,16H,2,5-8,12-15,17-18H2,1,3-4H3,(H2,27,28,29);3-4,10,16H,1,5-9,11-13H2,2H3,(H2,22,24,25);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)/t;;;;15-;/m....0./s1
• InChIKey: LFBWUSBSXGCMAF-CIKRUYBASA-N
• XLogP: 18.66
• TPSA: 481.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 35
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2244.91
LogP ≤ 5	18.66
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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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 2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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 159332105) is 2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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 2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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 2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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(OCC3CCOCC3)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1(C)C.C=C1Cc2c(N)nc(O[C@@H](C)CCC)nc2N(Cc2ccc(C)nc2)C1.

What is the InChIKey of 2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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 LFBWUSBSXGCMAF-CIKRUYBASA-N. The full InChI is InChI=1S/C26H37N5O.C21H27N5O2.2C20H25N5O2.C20H27N5O.C19H25N5O/c1-5-6-14-32-25-28-23(27)22-15-19(2)26(3,4)31(24(22)29-25)18-21-11-9-10-20(16-21)17-30-12-7-8-13-30;1-14-9-18-19(22)24-21(28-13-16-5-7-27-8-6-16)25-20(18)26(11-14)12-17-4-3-15(2)23-10-17;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/h9-11,16H,2,5-8,12-15,17-18H2,1,3-4H3,(H2,27,28,29);3-4,10,16H,1,5-9,11-13H2,2H3,(H2,22,24,25);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)/t;;;;15-;/m....0./s1.

What are the key properties of 2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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?

2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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 2244.91 g/mol, XLogP of 18.66, 35 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butoxy-7,7-dimethyl-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[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-(oxan-4-ylmethoxy)-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 159332105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).