4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C112H149N27O11 — CID 160517560

About 4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 160517560) has the molecular formula C112H149N27O11 and a molecular weight of 2049.60 g/mol. Its IUPAC name is 4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 160517560
• Molecular Formula: C112H149N27O11
• Molecular Weight: 2049.60 g/mol
• Exact Mass: 2048.19
• IUPAC Name: 4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(OCC3CCCO3)nc2N(Cc2ccnc(N3CCOCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccnc(N3CCOCC3)c2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)C(C)C(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C(C)C(=O)C2.Nc1[nH]c(=O)nc2c1CC(=O)CN2Cc1cccc(CN2CCCC2)c1
• InChI: InChI=1S/2C24H33N5O2.C23H30N6O3.C22H30N6O2.C19H23N5O2/c1-3-4-13-31-24-26-22(25)20-14-21(30)17(2)29(23(20)27-24)16-19-9-7-18(8-10-19)15-28-11-5-6-12-28;1-3-4-12-31-24-26-22(25)20-14-21(30)17(2)29(23(20)27-24)16-19-9-7-8-18(13-19)15-28-10-5-6-11-28;1-16-11-19-21(24)26-23(32-15-18-3-2-8-31-18)27-22(19)29(13-16)14-17-4-5-25-20(12-17)28-6-9-30-10-7-28;1-3-4-9-30-22-25-20(23)18-12-16(2)14-28(21(18)26-22)15-17-5-6-24-19(13-17)27-7-10-29-11-8-27;20-17-16-9-15(25)12-24(18(16)22-19(26)21-17)11-14-5-3-4-13(8-14)10-23-6-1-2-7-23/h7-10,17H,3-6,11-16H2,1-2H3,(H2,25,26,27);7-9,13,17H,3-6,10-12,14-16H2,1-2H3,(H2,25,26,27);4-5,12,18H,1-3,6-11,13-15H2,(H2,24,26,27);5-6,13H,2-4,7-12,14-15H2,1H3,(H2,23,25,26);3-5,8H,1-2,6-7,9-12H2,(H3,20,21,22,26)
• InChIKey: QTVRWHHYLQDQIN-UHFFFAOYSA-N
• XLogP: 12.34
• TPSA: 452.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2049.60
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

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-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 160517560) is 4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(OCC3CCCO3)nc2N(Cc2ccnc(N3CCOCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccnc(N3CCOCC3)c2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)C(C)C(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C(C)C(=O)C2.Nc1[nH]c(=O)nc2c1CC(=O)CN2Cc1cccc(CN2CCCC2)c1.

What is the InChIKey of 4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is QTVRWHHYLQDQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H33N5O2.C23H30N6O3.C22H30N6O2.C19H23N5O2/c1-3-4-13-31-24-26-22(25)20-14-21(30)17(2)29(23(20)27-24)16-19-9-7-18(8-10-19)15-28-11-5-6-12-28;1-3-4-12-31-24-26-22(25)20-14-21(30)17(2)29(23(20)27-24)16-19-9-7-8-18(13-19)15-28-10-5-6-11-28;1-16-11-19-21(24)26-23(32-15-18-3-2-8-31-18)27-22(19)29(13-16)14-17-4-5-25-20(12-17)28-6-9-30-10-7-28;1-3-4-9-30-22-25-20(23)18-12-16(2)14-28(21(18)26-22)15-17-5-6-24-19(13-17)27-7-10-29-11-8-27;20-17-16-9-15(25)12-24(18(16)22-19(26)21-17)11-14-5-3-4-13(8-14)10-23-6-1-2-7-23/h7-10,17H,3-6,11-16H2,1-2H3,(H2,25,26,27);7-9,13,17H,3-6,10-12,14-16H2,1-2H3,(H2,25,26,27);4-5,12,18H,1-3,6-11,13-15H2,(H2,24,26,27);5-6,13H,2-4,7-12,14-15H2,1H3,(H2,23,25,26);3-5,8H,1-2,6-7,9-12H2,(H3,20,21,22,26).

What are the key properties of 4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2049.60 g/mol, XLogP of 12.34, 33 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydro-3H-pyrido[2,3-d]pyrimidine-2,6-dione;2-butoxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 160517560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).