4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C90H126N20O8 — CID 157217929

About 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 157217929) has the molecular formula C90H126N20O8 and a molecular weight of 1616.13 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• PubChem CID: 157217929
• Molecular Formula: C90H126N20O8
• Molecular Weight: 1616.13 g/mol
• Exact Mass: 1615.01
• IUPAC Name: 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• SMILES: CCCCOc1nc(N)c2c(n1)N(CCC1CCNCC1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CCN(C(C)C)C3)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CCN(CC)C3)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CCN(CC1CC1)C3)CC(=O)C2
• InChI: InChI=1S/C25H33N5O2.C24H33N5O2.C23H31N5O2.C18H29N5O2/c1-2-3-10-32-25-27-23(26)22-12-21(31)16-30(24(22)28-25)14-18-6-7-20-15-29(13-17-4-5-17)9-8-19(20)11-18;1-4-5-10-31-24-26-22(25)21-12-20(30)15-29(23(21)27-24)13-17-6-7-19-14-28(16(2)3)9-8-18(19)11-17;1-3-5-10-30-23-25-21(24)20-12-19(29)15-28(22(20)26-23)13-16-6-7-18-14-27(4-2)9-8-17(18)11-16;1-2-3-10-25-18-21-16(19)15-11-14(24)12-23(17(15)22-18)9-6-13-4-7-20-8-5-13/h6-7,11,17H,2-5,8-10,12-16H2,1H3,(H2,26,27,28);6-7,11,16H,4-5,8-10,12-15H2,1-3H3,(H2,25,26,27);6-7,11H,3-5,8-10,12-15H2,1-2H3,(H2,24,25,26);13,20H,2-12H2,1H3,(H2,19,21,22)
• InChIKey: ASQGEGSEPUQNPK-UHFFFAOYSA-N
• XLogP: 10.58
• TPSA: 347.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1616.13
LogP ≤ 5	10.58
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-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 157217929) is 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is CCCCOc1nc(N)c2c(n1)N(CCC1CCNCC1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CCN(C(C)C)C3)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CCN(CC)C3)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CCN(CC1CC1)C3)CC(=O)C2.

What is the InChIKey of 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The InChIKey is ASQGEGSEPUQNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2.C24H33N5O2.C23H31N5O2.C18H29N5O2/c1-2-3-10-32-25-27-23(26)22-12-21(31)16-30(24(22)28-25)14-18-6-7-20-15-29(13-17-4-5-17)9-8-19(20)11-18;1-4-5-10-31-24-26-22(25)21-12-20(30)15-29(23(21)27-24)13-17-6-7-19-14-28(16(2)3)9-8-18(19)11-17;1-3-5-10-30-23-25-21(24)20-12-19(29)15-28(22(20)26-23)13-16-6-7-18-14-27(4-2)9-8-17(18)11-16;1-2-3-10-25-18-21-16(19)15-11-14(24)12-23(17(15)22-18)9-6-13-4-7-20-8-5-13/h6-7,11,17H,2-5,8-10,12-16H2,1H3,(H2,26,27,28);6-7,11,16H,4-5,8-10,12-15H2,1-3H3,(H2,25,26,27);6-7,11H,3-5,8-10,12-15H2,1-2H3,(H2,24,25,26);13,20H,2-12H2,1H3,(H2,19,21,22).

What are the key properties of 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 1616.13 g/mol, XLogP of 10.58, 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-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 157217929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).