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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C131H168N24O8 — CID 158855708

About 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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 158855708) has the molecular formula C131H168N24O8 and a molecular weight of 2206.94 g/mol. Its IUPAC name is 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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 158855708
• Molecular Formula: C131H168N24O8
• Molecular Weight: 2206.94 g/mol
• Exact Mass: 2205.35
• IUPAC Name: 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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(-c3ccc(CN4CCCC4)cc3)cc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(-c3ccc(CN4CCCC4)cc3)cc2)C1=O.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(CC)C3)CC(=O)C2
• InChI: InChI=1S/C30H35N5O2.C30H37N5O.C26H37N5O.C23H31N5O2.C22H28N4O2/c1-3-4-17-37-30-32-27(31)26-18-21(2)29(36)35(28(26)33-30)20-23-9-13-25(14-10-23)24-11-7-22(8-12-24)19-34-15-5-6-16-34;1-3-4-17-36-30-32-28(31)27-18-22(2)19-35(29(27)33-30)21-24-9-13-26(14-10-24)25-11-7-23(8-12-25)20-34-15-5-6-16-34;1-5-6-12-32-26-28-24(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;1-3-5-10-30-23-25-21(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/h7-14H,2-6,15-20H2,1H3,(H2,31,32,33);7-14H,2-6,15-21H2,1H3,(H2,31,32,33);7-9,14,19-20H,2,5-6,10-13,15-17H2,1,3-4H3,(H2,27,28,29);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: JAAGDEFLYLPKFH-UHFFFAOYSA-N
• XLogP: 21.49
• TPSA: 385.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 39
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2206.94
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 158855708) is 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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(-c3ccc(CN4CCCC4)cc3)cc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(-c3ccc(CN4CCCC4)cc3)cc2)C1=O.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(CC)C3)CC(=O)C2.

What is the InChIKey of 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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is JAAGDEFLYLPKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2.C30H37N5O.C26H37N5O.C23H31N5O2.C22H28N4O2/c1-3-4-17-37-30-32-27(31)26-18-21(2)29(36)35(28(26)33-30)20-23-9-13-25(14-10-23)24-11-7-22(8-12-24)19-34-15-5-6-16-34;1-3-4-17-36-30-32-28(31)27-18-22(2)19-35(29(27)33-30)21-24-9-13-26(14-10-24)25-11-7-23(8-12-25)20-34-15-5-6-16-34;1-5-6-12-32-26-28-24(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;1-3-5-10-30-23-25-21(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/h7-14H,2-6,15-20H2,1H3,(H2,31,32,33);7-14H,2-6,15-21H2,1H3,(H2,31,32,33);7-9,14,19-20H,2,5-6,10-13,15-17H2,1,3-4H3,(H2,27,28,29);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-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2206.94 g/mol, XLogP of 21.49, 39 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 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-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-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;2-butoxy-6-methylidene-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158855708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).