4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-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-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[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

C91H121Cl2N21O7 — CID 161111484

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-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[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-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-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-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[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 (PubChem CID 161111484) has the molecular formula C91H121Cl2N21O7 and a molecular weight of 1692.01 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-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[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.

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-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[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
• PubChem CID: 161111484
• Molecular Formula: C91H121Cl2N21O7
• Molecular Weight: 1692.01 g/mol
• Exact Mass: 1689.91
• 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-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[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
• SMILES: CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cc(Cl)cc(CN3CCCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(Cl)c(CN3CCCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC3)c1)CC(=O)C2
• InChI: InChI=1S/2C23H30ClN5O2.C23H32N6O.C22H29N5O2/c1-2-3-10-31-23-26-21(25)19-12-18(30)15-29(22(19)27-23)13-16-6-7-20(24)17(11-16)14-28-8-4-5-9-28;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;1-2-3-10-29-22-24-20(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/h6-7,11H,2-5,8-10,12-15H2,1H3,(H2,25,26,27);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,(H2,23,24,25)
• InChIKey: UJTBTRLBGRBOTO-UHFFFAOYSA-N
• XLogP: 12.81
• TPSA: 341.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1692.01
LogP ≤ 5	12.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

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-butoxy-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-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[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?

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-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[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 (CID 161111484) 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-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[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.

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

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

The InChIKey is UJTBTRLBGRBOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H30ClN5O2.C23H32N6O.C22H29N5O2/c1-2-3-10-31-23-26-21(25)19-12-18(30)15-29(22(19)27-23)13-16-6-7-20(24)17(11-16)14-28-8-4-5-9-28;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;1-2-3-10-29-22-24-20(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/h6-7,11H,2-5,8-10,12-15H2,1H3,(H2,25,26,27);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,(H2,23,24,25).

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-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[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-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-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-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[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 has a molecular weight of 1692.01 g/mol, XLogP of 12.81, 32 rotatable bonds, 5 hydrogen bond donors, and 28 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-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[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 is sourced from PubChem (CID 161111484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).