8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine

C124H171N27O8 — CID 158796172

About 8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine

8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 158796172) has the molecular formula C124H171N27O8 and a molecular weight of 2167.91 g/mol. Its IUPAC name is 8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine
• PubChem CID: 158796172
• Molecular Formula: C124H171N27O8
• Molecular Weight: 2167.91 g/mol
• Exact Mass: 2166.38
• IUPAC Name: 8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine
• SMILES: C=C1Cc2c(N)nc(NCC3CCCO3)nc2N(Cc2cccc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(C(C)c2cccc(CN3CCCC3)c2)C1.CCCCNc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CCC(=O)C2.CCCCOc1nc(N)c2c(n1)N(C(C)c1ccc(CN3CCCC3)cc1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC(C(C)=O)CC3)c1)CC(=O)C2
• InChI: InChI=1S/C26H35N5O3.C25H34N6O.C25H35N5O.C24H34N6O.C24H33N5O2/c1-3-4-12-34-26-28-24(27)23-14-22(33)17-31(25(23)29-26)16-20-7-5-6-19(13-20)15-30-10-8-21(9-11-30)18(2)32;1-18-12-22-23(26)28-25(27-14-21-8-5-11-32-21)29-24(22)31(15-18)17-20-7-4-6-19(13-20)16-30-9-2-3-10-30;1-4-5-13-31-25-27-23(26)22-14-18(2)16-30(24(22)28-25)19(3)21-10-8-9-20(15-21)17-29-11-6-7-12-29;1-2-3-10-26-24-27-22(25)21-15-20(31)9-13-30(23(21)28-24)17-19-8-6-7-18(14-19)16-29-11-4-5-12-29;1-3-4-13-31-24-26-22(25)21-14-20(30)16-29(23(21)27-24)17(2)19-9-7-18(8-10-19)15-28-11-5-6-12-28/h5-7,13,21H,3-4,8-12,14-17H2,1-2H3,(H2,27,28,29);4,6-7,13,21H,1-3,5,8-12,14-17H2,(H3,26,27,28,29);8-10,15,19H,2,4-7,11-14,16-17H2,1,3H3,(H2,26,27,28);6-8,14H,2-5,9-13,15-17H2,1H3,(H3,25,26,27,28);7-10,17H,3-6,11-16H2,1-2H3,(H2,25,26,27)
• InChIKey: ISWUVSKCJFLHEQ-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 420.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 40
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2167.91
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

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 8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine?

The IUPAC name of 8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine (CID 158796172) is 8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine?

The canonical SMILES for 8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine is C=C1Cc2c(N)nc(NCC3CCCO3)nc2N(Cc2cccc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(C(C)c2cccc(CN3CCCC3)c2)C1.CCCCNc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CCC(=O)C2.CCCCOc1nc(N)c2c(n1)N(C(C)c1ccc(CN3CCCC3)cc1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC(C(C)=O)CC3)c1)CC(=O)C2.

What is the InChIKey of 8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine?

The InChIKey is ISWUVSKCJFLHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3.C25H34N6O.C25H35N5O.C24H34N6O.C24H33N5O2/c1-3-4-12-34-26-28-24(27)23-14-22(33)17-31(25(23)29-26)16-20-7-5-6-19(13-20)15-30-10-8-21(9-11-30)18(2)32;1-18-12-22-23(26)28-25(27-14-21-8-5-11-32-21)29-24(22)31(15-18)17-20-7-4-6-19(13-20)16-30-9-2-3-10-30;1-4-5-13-31-25-27-23(26)22-14-18(2)16-30(24(22)28-25)19(3)21-10-8-9-20(15-21)17-29-11-6-7-12-29;1-2-3-10-26-24-27-22(25)21-15-20(31)9-13-30(23(21)28-24)17-19-8-6-7-18(14-19)16-29-11-4-5-12-29;1-3-4-13-31-24-26-22(25)21-14-20(30)16-29(23(21)27-24)17(2)19-9-7-18(8-10-19)15-28-11-5-6-12-28/h5-7,13,21H,3-4,8-12,14-17H2,1-2H3,(H2,27,28,29);4,6-7,13,21H,1-3,5,8-12,14-17H2,(H3,26,27,28,29);8-10,15,19H,2,4-7,11-14,16-17H2,1,3H3,(H2,26,27,28);6-8,14H,2-5,9-13,15-17H2,1H3,(H3,25,26,27,28);7-10,17H,3-6,11-16H2,1-2H3,(H2,25,26,27).

What are the key properties of 8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine?

8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 2167.91 g/mol, XLogP of 17.96, 40 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[3-[(4-acetylpiperidin-1-yl)methyl]phenyl]methyl]-4-amino-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-(butylamino)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-2-N-(oxolan-2-ylmethyl)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 158796172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).