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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C₁₂₀H₁₆₂N₂₄O₉ — CID 159524440

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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 159524440) has the molecular formula C₁₂₀H₁₆₂N₂₄O₉ and a molecular weight of 2084.77 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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 159524440
• Molecular Formula: C₁₂₀H₁₆₂N₂₄O₉
• Molecular Weight: 2084.77 g/mol
• Exact Mass: 2083.30
• 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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3C(C)CCC3C)c2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CCCC3)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/C26H37N5O.C25H33N5O2.C24H33N5O2.C23H31N5O2.C22H28N4O2/c1-5-6-12-32-26-28-24(27)23-13-18(2)15-30(25(23)29-26)16-21-8-7-9-22(14-21)17-31-19(3)10-11-20(31)4;1-2-3-10-32-25-27-23(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;1-2-3-10-28-22-24-20(23)19-12-18(27)14-26(21(19)25-22)13-15-8-9-16-6-4-5-7-17(16)11-15/h7-9,14,19-20H,2,5-6,10-13,15-17H2,1,3-4H3,(H2,27,28,29);6-7,11,17H,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);8-9,11H,2-7,10,12-14H2,1H3,(H2,23,24,25)
• InChIKey: MCFDDSBXHMZZDR-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 402.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 36
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2084.77
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 159524440) 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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3C(C)CCC3C)c2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CCCC3)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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is MCFDDSBXHMZZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O.C25H33N5O2.C24H33N5O2.C23H31N5O2.C22H28N4O2/c1-5-6-12-32-26-28-24(27)23-13-18(2)15-30(25(23)29-26)16-21-8-7-9-22(14-21)17-31-19(3)10-11-20(31)4;1-2-3-10-32-25-27-23(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;1-2-3-10-28-22-24-20(23)19-12-18(27)14-26(21(19)25-22)13-15-8-9-16-6-4-5-7-17(16)11-15/h7-9,14,19-20H,2,5-6,10-13,15-17H2,1,3-4H3,(H2,27,28,29);6-7,11,17H,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);8-9,11H,2-7,10,12-14H2,1H3,(H2,23,24,25).

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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2084.77 g/mol, XLogP of 17.00, 36 rotatable bonds, 5 hydrogen bond donors, and 33 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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159524440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159524440 — identifiers, structure, computed properties (public domain)

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