4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C119H171N27O7 — CID 158694665

About 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 158694665) has the molecular formula C119H171N27O7 and a molecular weight of 2091.86 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 158694665
• Molecular Formula: C119H171N27O7
• Molecular Weight: 2091.86 g/mol
• Exact Mass: 2090.39
• IUPAC Name: 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(OC(C)CCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCN(Cc3ccccc3)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCNCC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCCN(Cc2ccccc2)C(=O)CN2CCN(C)CC2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CCN(CC1CC1)C3)CC(=O)C2
• InChI: InChI=1S/C29H43N7O2.C26H37N5O.C25H33N5O2.C20H27N5O.C19H31N5O/c1-4-5-18-38-29-31-27(30)25-19-23(2)20-36(28(25)32-29)13-9-12-35(21-24-10-7-6-8-11-24)26(37)22-34-16-14-33(3)15-17-34;1-3-4-16-32-26-28-24(27)23-17-20(2)18-31(25(23)29-26)15-12-21-10-13-30(14-11-21)19-22-8-6-5-7-9-22;1-2-3-10-32-25-27-23(26)22-12-21(31)16-30(24(22)28-25)14-18-6-7-20-15-29(13-17-4-5-17)9-8-19(20)11-18;1-5-6-15(4)26-20-23-18(21)17-9-13(2)11-25(19(17)24-20)12-16-8-7-14(3)22-10-16;1-3-4-11-25-19-22-17(20)16-12-14(2)13-24(18(16)23-19)10-7-15-5-8-21-9-6-15/h6-8,10-11H,2,4-5,9,12-22H2,1,3H3,(H2,30,31,32);5-9,21H,2-4,10-19H2,1H3,(H2,27,28,29);6-7,11,17H,2-5,8-10,12-16H2,1H3,(H2,26,27,28);7-8,10,15H,2,5-6,9,11-12H2,1,3-4H3,(H2,21,23,24);15,21H,2-13H2,1H3,(H2,20,22,23)
• InChIKey: IGUBTIMVHHIKFV-UHFFFAOYSA-N
• XLogP: 16.41
• TPSA: 396.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 42
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2091.86
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	6
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-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 158694665) is 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(OC(C)CCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCN(Cc3ccccc3)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCNCC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCCN(Cc2ccccc2)C(=O)CN2CCN(C)CC2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CCN(CC1CC1)C3)CC(=O)C2.

What is the InChIKey of 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is IGUBTIMVHHIKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N7O2.C26H37N5O.C25H33N5O2.C20H27N5O.C19H31N5O/c1-4-5-18-38-29-31-27(30)25-19-23(2)20-36(28(25)32-29)13-9-12-35(21-24-10-7-6-8-11-24)26(37)22-34-16-14-33(3)15-17-34;1-3-4-16-32-26-28-24(27)23-17-20(2)18-31(25(23)29-26)15-12-21-10-13-30(14-11-21)19-22-8-6-5-7-9-22;1-2-3-10-32-25-27-23(26)22-12-21(31)16-30(24(22)28-25)14-18-6-7-20-15-29(13-17-4-5-17)9-8-19(20)11-18;1-5-6-15(4)26-20-23-18(21)17-9-13(2)11-25(19(17)24-20)12-16-8-7-14(3)22-10-16;1-3-4-11-25-19-22-17(20)16-12-14(2)13-24(18(16)23-19)10-7-15-5-8-21-9-6-15/h6-8,10-11H,2,4-5,9,12-22H2,1,3H3,(H2,30,31,32);5-9,21H,2-4,10-19H2,1H3,(H2,27,28,29);6-7,11,17H,2-5,8-10,12-16H2,1H3,(H2,26,27,28);7-8,10,15H,2,5-6,9,11-12H2,1,3-4H3,(H2,21,23,24);15,21H,2-13H2,1H3,(H2,20,22,23).

What are the key properties of 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2091.86 g/mol, XLogP of 16.41, 42 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158694665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).