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

C114H154ClN27O8 — CID 158111730

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

4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-(butylamino)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-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 (PubChem CID 158111730) has the molecular formula C114H154ClN27O8 and a molecular weight of 2066.12 g/mol. Its IUPAC name is 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-(butylamino)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-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.

Molecular Properties

• Compound Name: 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-(butylamino)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-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
• PubChem CID: 158111730
• Molecular Formula: C114H154ClN27O8
• Molecular Weight: 2066.12 g/mol
• Exact Mass: 2064.22
• IUPAC Name: 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-(butylamino)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-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
• SMILES: CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cc(Cl)cc(CN3CCCC3)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.C23H30ClN5O2.C23H32N6O.C22H30N6O.C21H27N5O2/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;1-2-3-8-31-23-26-21(25)20-12-19(30)15-29(22(20)27-23)14-17-9-16(10-18(24)11-17)13-28-6-4-5-7-28;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;1-2-3-8-24-22-25-20(23)19-12-18(29)15-28(21(19)26-22)14-17-7-4-6-16(11-17)13-27-9-5-10-27;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/h8-10,14H,4-7,11-13,15-17H2,1-3H3,(H2,26,27,28);9-11H,2-8,12-15H2,1H3,(H2,25,26,27);6-9H,2-5,10-16H2,1H3,(H3,24,25,26,27);4,6-7,11H,2-3,5,8-10,12-15H2,1H3,(H3,23,24,25,26);5-7,10H,2-4,8-9,11-14H2,1H3,(H2,22,23,24)
• InChIKey: FQNDAEYPPTUCIF-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 428.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 38
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2066.12
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-(butylamino)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-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 (CID 158111730) is 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-(butylamino)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-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.

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

The canonical SMILES for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-(butylamino)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-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 is CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cc(Cl)cc(CN3CCCC3)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-(butylamino)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-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?

The InChIKey is FQNDAEYPPTUCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2.C23H30ClN5O2.C23H32N6O.C22H30N6O.C21H27N5O2/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;1-2-3-8-31-23-26-21(25)20-12-19(30)15-29(22(20)27-23)14-17-9-16(10-18(24)11-17)13-28-6-4-5-7-28;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;1-2-3-8-24-22-25-20(23)19-12-18(29)15-28(21(19)26-22)14-17-7-4-6-16(11-17)13-27-9-5-10-27;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/h8-10,14H,4-7,11-13,15-17H2,1-3H3,(H2,26,27,28);9-11H,2-8,12-15H2,1H3,(H2,25,26,27);6-9H,2-5,10-16H2,1H3,(H3,24,25,26,27);4,6-7,11H,2-3,5,8-10,12-15H2,1H3,(H3,23,24,25,26);5-7,10H,2-4,8-9,11-14H2,1H3,(H2,22,23,24).

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

4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-(butylamino)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-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 has a molecular weight of 2066.12 g/mol, XLogP of 15.15, 38 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-(butylamino)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-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 is sourced from PubChem (CID 158111730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).