4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C91H122N20O8 — CID 158975089

About 4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 158975089) has the molecular formula C91H122N20O8 and a molecular weight of 1624.11 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• PubChem CID: 158975089
• Molecular Formula: C91H122N20O8
• Molecular Weight: 1624.11 g/mol
• Exact Mass: 1622.98
• IUPAC Name: 4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• SMILES: CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CN(CC)CC3)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CNCC3)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CCC(=O)C2
• InChI: InChI=1S/C24H33N5O2.2C23H31N5O2.C21H27N5O2/c1-2-3-13-31-24-26-22(25)21-15-20(30)9-12-29(23(21)27-24)17-19-8-6-7-18(14-19)16-28-10-4-5-11-28;1-3-5-10-30-23-25-21(24)20-12-19(29)15-28(22(20)26-23)13-16-6-7-17-8-9-27(4-2)14-18(17)11-16;1-2-3-11-30-23-25-21(24)20-13-19(29)16-28(22(20)26-23)15-18-8-6-7-17(12-18)14-27-9-4-5-10-27;1-2-3-8-28-21-24-19(22)18-10-17(27)13-26(20(18)25-21)12-14-4-5-15-6-7-23-11-16(15)9-14/h6-8,14H,2-5,9-13,15-17H2,1H3,(H2,25,26,27);6-7,11H,3-5,8-10,12-15H2,1-2H3,(H2,24,25,26);6-8,12H,2-5,9-11,13-16H2,1H3,(H2,24,25,26);4-5,9,23H,2-3,6-8,10-13H2,1H3,(H2,22,24,25)
• InChIKey: JOHHCNBEMKFLBO-UHFFFAOYSA-N
• XLogP: 11.08
• TPSA: 347.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.11
LogP ≤ 5	11.08
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-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 158975089) is 4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CN(CC)CC3)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CNCC3)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CCC(=O)C2.

What is the InChIKey of 4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The InChIKey is JOHHCNBEMKFLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2.2C23H31N5O2.C21H27N5O2/c1-2-3-13-31-24-26-22(25)21-15-20(30)9-12-29(23(21)27-24)17-19-8-6-7-18(14-19)16-28-10-4-5-11-28;1-3-5-10-30-23-25-21(24)20-12-19(29)15-28(22(20)26-23)13-16-6-7-17-8-9-27(4-2)14-18(17)11-16;1-2-3-11-30-23-25-21(24)20-13-19(29)16-28(22(20)26-23)15-18-8-6-7-17(12-18)14-27-9-4-5-10-27;1-2-3-8-28-21-24-19(22)18-10-17(27)13-26(20(18)25-21)12-14-4-5-15-6-7-23-11-16(15)9-14/h6-8,14H,2-5,9-13,15-17H2,1H3,(H2,25,26,27);6-7,11H,3-5,8-10,12-15H2,1-2H3,(H2,24,25,26);6-8,12H,2-5,9-11,13-16H2,1H3,(H2,24,25,26);4-5,9,23H,2-3,6-8,10-13H2,1H3,(H2,22,24,25).

What are the key properties of 4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 1624.11 g/mol, XLogP of 11.08, 29 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;4-amino-2-butoxy-8-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158975089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).