4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione

C159H213N35O14 — CID 157317402

About 4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione

4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione (PubChem CID 157317402) has the molecular formula C159H213N35O14 and a molecular weight of 2838.68 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione
• PubChem CID: 157317402
• Molecular Formula: C159H213N35O14
• Molecular Weight: 2838.68 g/mol
• Exact Mass: 2836.70
• IUPAC Name: 4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione
• SMILES: CCCCOc1nc(N)c2c(n1)N(Cc1ccccc1CN1CCCC1)CC(=O)C2.CCC[C@@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)C2.CCC[C@@H](C)Oc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.CCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.Nc1[nH]c(=O)nc2c1CC(=O)CN2Cc1cccc(CN2CCCC2)c1
• InChI: InChI=1S/4C24H33N5O2.C23H31N5O2.C21H27N5O2.C19H23N5O2/c3*1-3-7-17(2)31-24-26-22(25)21-13-20(30)16-29(23(21)27-24)15-19-9-6-8-18(12-19)14-28-10-4-5-11-28;1-3-6-17(2)31-24-26-22(25)21-13-20(30)16-29(23(21)27-24)15-19-9-7-18(8-10-19)14-28-11-4-5-12-28;1-2-3-12-30-23-25-21(24)20-13-19(29)16-28(22(20)26-23)15-18-9-5-4-8-17(18)14-27-10-6-7-11-27;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;20-17-16-9-15(25)12-24(18(16)22-19(26)21-17)11-14-5-3-4-13(8-14)10-23-6-1-2-7-23/h3*6,8-9,12,17H,3-5,7,10-11,13-16H2,1-2H3,(H2,25,26,27);7-10,17H,3-6,11-16H2,1-2H3,(H2,25,26,27);4-5,8-9H,2-3,6-7,10-16H2,1H3,(H2,24,25,26);5-7,10H,2-4,8-9,11-14H2,1H3,(H2,22,23,24);3-5,8H,1-2,6-7,9-12H2,(H3,20,21,22,26)/t4*17-;;;/m1001.../s1
• InChIKey: BDTOPIIKRFNDMN-NOROINNTSA-N
• XLogP: 19.65
• TPSA: 602.80 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 50
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2838.68
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione?

The IUPAC name of 4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione (CID 157317402) is 4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione.

What is the SMILES notation for 4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione?

The canonical SMILES for 4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione is CCCCOc1nc(N)c2c(n1)N(Cc1ccccc1CN1CCCC1)CC(=O)C2.CCC[C@@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)C2.CCC[C@@H](C)Oc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.CCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.Nc1[nH]c(=O)nc2c1CC(=O)CN2Cc1cccc(CN2CCCC2)c1.

What is the InChIKey of 4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione?

The InChIKey is BDTOPIIKRFNDMN-NOROINNTSA-N. The full InChI is InChI=1S/4C24H33N5O2.C23H31N5O2.C21H27N5O2.C19H23N5O2/c3*1-3-7-17(2)31-24-26-22(25)21-13-20(30)16-29(23(21)27-24)15-19-9-6-8-18(12-19)14-28-10-4-5-11-28;1-3-6-17(2)31-24-26-22(25)21-13-20(30)16-29(23(21)27-24)15-19-9-7-18(8-10-19)14-28-11-4-5-12-28;1-2-3-12-30-23-25-21(24)20-13-19(29)16-28(22(20)26-23)15-18-9-5-4-8-17(18)14-27-10-6-7-11-27;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;20-17-16-9-15(25)12-24(18(16)22-19(26)21-17)11-14-5-3-4-13(8-14)10-23-6-1-2-7-23/h3*6,8-9,12,17H,3-5,7,10-11,13-16H2,1-2H3,(H2,25,26,27);7-10,17H,3-6,11-16H2,1-2H3,(H2,25,26,27);4-5,8-9H,2-3,6-7,10-16H2,1H3,(H2,24,25,26);5-7,10H,2-4,8-9,11-14H2,1H3,(H2,22,23,24);3-5,8H,1-2,6-7,9-12H2,(H3,20,21,22,26)/t4*17-;;;/m1001.../s1.

What are the key properties of 4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione?

4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione has a molecular weight of 2838.68 g/mol, XLogP of 19.65, 50 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-8-[[2-(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;bis(4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one);4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione is sourced from PubChem (CID 157317402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).