4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C69H91N19O6 — CID 157094265

About 4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 157094265) has the molecular formula C69H91N19O6 and a molecular weight of 1282.61 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• PubChem CID: 157094265
• Molecular Formula: C69H91N19O6
• Molecular Weight: 1282.61 g/mol
• Exact Mass: 1281.74
• IUPAC Name: 4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
• SMILES: CCCCNc1nc(N)c2c(n1)N(Cc1ccnc(N3CCOCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCN(C)CC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CNc3ccccn3)c1)CC(=O)C2
• InChI: InChI=1S/C24H34N6O2.C24H28N6O2.C21H29N7O2/c1-3-4-12-32-24-26-22(25)21-14-20(31)17-30(23(21)27-24)16-19-7-5-6-18(13-19)15-29-10-8-28(2)9-11-29;1-2-3-11-32-24-28-22(25)20-13-19(31)16-30(23(20)29-24)15-18-8-6-7-17(12-18)14-27-21-9-4-5-10-26-21;1-2-3-5-24-21-25-19(22)17-12-16(29)14-28(20(17)26-21)13-15-4-6-23-18(11-15)27-7-9-30-10-8-27/h5-7,13H,3-4,8-12,14-17H2,1-2H3,(H2,25,26,27);4-10,12H,2-3,11,13-16H2,1H3,(H,26,27)(H2,25,28,29);4,6,11H,2-3,5,7-10,12-14H2,1H3,(H3,22,24,25,26)
• InChIKey: AFAGHBLQEBXIBI-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 303.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1282.61
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

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-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 157094265) is 4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is CCCCNc1nc(N)c2c(n1)N(Cc1ccnc(N3CCOCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCN(C)CC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CNc3ccccn3)c1)CC(=O)C2.

What is the InChIKey of 4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

The InChIKey is AFAGHBLQEBXIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2.C24H28N6O2.C21H29N7O2/c1-3-4-12-32-24-26-22(25)21-14-20(31)17-30(23(21)27-24)16-19-7-5-6-18(13-19)15-29-10-8-28(2)9-11-29;1-2-3-11-32-24-28-22(25)20-13-19(31)16-30(23(20)29-24)15-18-8-6-7-17(12-18)14-27-21-9-4-5-10-26-21;1-2-3-5-24-21-25-19(22)17-12-16(29)14-28(20(17)26-21)13-15-4-6-23-18(11-15)27-7-9-30-10-8-27/h5-7,13H,3-4,8-12,14-17H2,1-2H3,(H2,25,26,27);4-10,12H,2-3,11,13-16H2,1H3,(H,26,27)(H2,25,28,29);4,6,11H,2-3,5,7-10,12-14H2,1H3,(H3,22,24,25,26).

What are the key properties of 4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?

4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 1282.61 g/mol, XLogP of 7.13, 24 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-8-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 157094265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).