4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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

C₁₃₁H₁₇₅N₃₁O₁₀ — CID 159639710

About 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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

4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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 (PubChem CID 159639710) has the molecular formula C₁₃₁H₁₇₅N₃₁O₁₀ and a molecular weight of 2344.05 g/mol. Its IUPAC name is 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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.

Molecular Properties

• Compound Name: 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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
• PubChem CID: 159639710
• Molecular Formula: C₁₃₁H₁₇₅N₃₁O₁₀
• Molecular Weight: 2344.05 g/mol
• Exact Mass: 2342.41
• IUPAC Name: 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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
• SMILES: C=C1Cc2c(N)nc(OCC3CCOCC3)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C(C)(C)C(=O)C2.CCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2
• InChI: InChI=1S/C25H35N5O2.C23H32N6O.C22H29N5O2.2C21H27N5O2.C19H25N5O/c1-4-5-13-32-24-27-22(26)20-15-21(31)25(2,3)30(23(20)28-24)17-19-10-8-9-18(14-19)16-29-11-6-7-12-29;1-2-3-10-25-23-26-21(24)20-13-19(30)16-29(22(20)27-23)15-18-8-6-17(7-9-18)14-28-11-4-5-12-28;1-2-3-10-29-22-24-20(23)19-12-18(28)15-27(21(19)25-22)14-17-7-4-6-16(11-17)13-26-8-5-9-26;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;1-2-28-21-23-19(22)18-11-17(27)14-26(20(18)24-21)13-16-7-5-6-15(10-16)12-25-8-3-4-9-25;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/h8-10,14H,4-7,11-13,15-17H2,1-3H3,(H2,26,27,28);6-9H,2-5,10-16H2,1H3,(H3,24,25,26,27);4,6-7,11H,2-3,5,8-10,12-15H2,1H3,(H2,23,24,25);3-4,10,16H,1,5-9,11-13H2,2H3,(H2,22,24,25);5-7,10H,2-4,8-9,11-14H2,1H3,(H2,22,23,24);6-7,10H,2,4-5,8-9,11-12H2,1,3H3,(H2,20,22,23)
• InChIKey: MQESLVZGSHCGAK-UHFFFAOYSA-N
• XLogP: 17.25
• TPSA: 504.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 41
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.05
LogP ≤ 5	17.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

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 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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?

The IUPAC name of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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 (CID 159639710) is 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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.

What is the SMILES notation for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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?

The canonical SMILES for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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 is C=C1Cc2c(N)nc(OCC3CCOCC3)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C(C)(C)C(=O)C2.CCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.

What is the InChIKey of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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?

The InChIKey is MQESLVZGSHCGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2.C23H32N6O.C22H29N5O2.2C21H27N5O2.C19H25N5O/c1-4-5-13-32-24-27-22(26)20-15-21(31)25(2,3)30(23(20)28-24)17-19-10-8-9-18(14-19)16-29-11-6-7-12-29;1-2-3-10-25-23-26-21(24)20-13-19(30)16-29(22(20)27-23)15-18-8-6-17(7-9-18)14-28-11-4-5-12-28;1-2-3-10-29-22-24-20(23)19-12-18(28)15-27(21(19)25-22)14-17-7-4-6-16(11-17)13-26-8-5-9-26;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;1-2-28-21-23-19(22)18-11-17(27)14-26(20(18)24-21)13-16-7-5-6-15(10-16)12-25-8-3-4-9-25;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/h8-10,14H,4-7,11-13,15-17H2,1-3H3,(H2,26,27,28);6-9H,2-5,10-16H2,1H3,(H3,24,25,26,27);4,6-7,11H,2-3,5,8-10,12-15H2,1H3,(H2,23,24,25);3-4,10,16H,1,5-9,11-13H2,2H3,(H2,22,24,25);5-7,10H,2-4,8-9,11-14H2,1H3,(H2,22,23,24);6-7,10H,2,4-5,8-9,11-12H2,1,3H3,(H2,20,22,23).

What are the key properties of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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?

4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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 has a molecular weight of 2344.05 g/mol, XLogP of 17.25, 41 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7,7-dimethyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;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 is sourced from PubChem (CID 159639710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159639710 — identifiers, structure, computed properties (public domain)

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