4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C117H155N25O8 — CID 158413137

About 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 158413137) has the molecular formula C117H155N25O8 and a molecular weight of 2039.69 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 158413137
• Molecular Formula: C117H155N25O8
• Molecular Weight: 2039.69 g/mol
• Exact Mass: 2038.25
• IUPAC Name: 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(CCCCC)nc2N(Cc2cccc(C#N)c2)C1.C=C1Cc2c(N)nc(CCCCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC(C(=O)OC)CC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.CCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2
• InChI: InChI=1S/C26H35N5O4.C25H35N5.C23H31N5O2.C22H29N5O2.C21H25N5/c1-3-4-12-35-26-28-23(27)22-14-21(32)17-31(24(22)29-26)16-19-7-5-6-18(13-19)15-30-10-8-20(9-11-30)25(33)34-2;1-3-4-5-11-23-27-24(26)22-14-19(2)16-30(25(22)28-23)18-21-10-8-9-20(15-21)17-29-12-6-7-13-29;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;1-2-10-29-22-24-20(23)19-12-18(28)15-27(21(19)25-22)14-17-7-5-6-16(11-17)13-26-8-3-4-9-26;1-3-4-5-9-19-24-20(23)18-10-15(2)13-26(21(18)25-19)14-17-8-6-7-16(11-17)12-22/h5-7,13,20H,3-4,8-12,14-17H2,1-2H3,(H2,27,28,29);8-10,15H,2-7,11-14,16-18H2,1H3,(H2,26,27,28);6-8,12H,2-5,9-11,13-16H2,1H3,(H2,24,25,26);5-7,11H,2-4,8-10,12-15H2,1H3,(H2,23,24,25);6-8,11H,2-5,9-10,13-14H2,1H3,(H2,23,24,25)
• InChIKey: GZOCHUCHMXPZTB-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 417.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 38
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2039.69
LogP ≤ 5	16.58
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-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 158413137) is 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(CCCCC)nc2N(Cc2cccc(C#N)c2)C1.C=C1Cc2c(N)nc(CCCCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC(C(=O)OC)CC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.CCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.

What is the InChIKey of 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is GZOCHUCHMXPZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4.C25H35N5.C23H31N5O2.C22H29N5O2.C21H25N5/c1-3-4-12-35-26-28-23(27)22-14-21(32)17-31(24(22)29-26)16-19-7-5-6-18(13-19)15-30-10-8-20(9-11-30)25(33)34-2;1-3-4-5-11-23-27-24(26)22-14-19(2)16-30(25(22)28-23)18-21-10-8-9-20(15-21)17-29-12-6-7-13-29;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;1-2-10-29-22-24-20(23)19-12-18(28)15-27(21(19)25-22)14-17-7-5-6-16(11-17)13-26-8-3-4-9-26;1-3-4-5-9-19-24-20(23)18-10-15(2)13-26(21(18)25-19)14-17-8-6-7-16(11-17)12-22/h5-7,13,20H,3-4,8-12,14-17H2,1-2H3,(H2,27,28,29);8-10,15H,2-7,11-14,16-18H2,1H3,(H2,26,27,28);6-8,12H,2-5,9-11,13-16H2,1H3,(H2,24,25,26);5-7,11H,2-4,8-10,12-15H2,1H3,(H2,23,24,25);6-8,11H,2-5,9-10,13-14H2,1H3,(H2,23,24,25).

What are the key properties of 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2039.69 g/mol, XLogP of 16.58, 38 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-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;3-[(4-amino-6-methylidene-2-pentyl-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]benzonitrile;4-amino-2-propoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methyl 1-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]piperidine-4-carboxylate;6-methylidene-2-pentyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158413137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).