4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C144H191N31O10 — CID 159636368

About 4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 159636368) has the molecular formula C144H191N31O10 and a molecular weight of 2516.32 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 159636368
• Molecular Formula: C144H191N31O10
• Molecular Weight: 2516.32 g/mol
• Exact Mass: 2514.54
• IUPAC Name: 4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(OC3CCCC3)nc2N(Cc2ccnc(N3CCOCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(C(C)c2cccc(CN3CCCC3)c2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CN(C(C)C)CC3)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CN(CC1CC1)CC3)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CN(CC1CCC1)CC3)CC(=O)C2.[C-]#[N+]c1ccc(C(C)N2CC(=C)Cc3c(N)nc(OCCCC)nc32)cc1
• InChI: InChI=1S/C26H35N5O2.C25H33N5O2.C25H35N5O.C24H33N5O2.C23H30N6O2.C21H25N5O/c1-2-3-11-33-26-28-24(27)23-13-22(32)17-31(25(23)29-26)15-19-7-8-20-9-10-30(16-21(20)12-19)14-18-5-4-6-18;1-2-3-10-32-25-27-23(26)22-12-21(31)16-30(24(22)28-25)14-18-6-7-19-8-9-29(13-17-4-5-17)15-20(19)11-18;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;1-4-5-10-31-24-26-22(25)21-12-20(30)15-29(23(21)27-24)13-17-6-7-18-8-9-28(16(2)3)14-19(18)11-17;1-16-12-19-21(24)26-23(31-18-4-2-3-5-18)27-22(19)29(14-16)15-17-6-7-25-20(13-17)28-8-10-30-11-9-28;1-5-6-11-27-21-24-19(22)18-12-14(2)13-26(20(18)25-21)15(3)16-7-9-17(23-4)10-8-16/h7-8,12,18H,2-6,9-11,13-17H2,1H3,(H2,27,28,29);6-7,11,17H,2-5,8-10,12-16H2,1H3,(H2,26,27,28);8-10,15,19H,2,4-7,11-14,16-17H2,1,3H3,(H2,26,27,28);6-7,11,16H,4-5,8-10,12-15H2,1-3H3,(H2,25,26,27);6-7,13,18H,1-5,8-12,14-15H2,(H2,24,26,27);7-10,15H,2,5-6,11-13H2,1,3H3,(H2,22,24,25)
• InChIKey: MPUIMGJWYJHZGT-UHFFFAOYSA-N
• XLogP: 21.51
• TPSA: 479.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 42
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2516.32
LogP ≤ 5	21.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 159636368) is 4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(OC3CCCC3)nc2N(Cc2ccnc(N3CCOCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(C(C)c2cccc(CN3CCCC3)c2)C1.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CN(C(C)C)CC3)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CN(CC1CC1)CC3)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CN(CC1CCC1)CC3)CC(=O)C2.[C-]#[N+]c1ccc(C(C)N2CC(=C)Cc3c(N)nc(OCCCC)nc32)cc1.

What is the InChIKey of 4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is MPUIMGJWYJHZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2.C25H33N5O2.C25H35N5O.C24H33N5O2.C23H30N6O2.C21H25N5O/c1-2-3-11-33-26-28-24(27)23-13-22(32)17-31(25(23)29-26)15-19-7-8-20-9-10-30(16-21(20)12-19)14-18-5-4-6-18;1-2-3-10-32-25-27-23(26)22-12-21(31)16-30(24(22)28-25)14-18-6-7-19-8-9-29(13-17-4-5-17)15-20(19)11-18;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;1-4-5-10-31-24-26-22(25)21-12-20(30)15-29(23(21)27-24)13-17-6-7-18-8-9-28(16(2)3)14-19(18)11-17;1-16-12-19-21(24)26-23(31-18-4-2-3-5-18)27-22(19)29(14-16)15-17-6-7-25-20(13-17)28-8-10-30-11-9-28;1-5-6-11-27-21-24-19(22)18-12-14(2)13-26(20(18)25-21)15(3)16-7-9-17(23-4)10-8-16/h7-8,12,18H,2-6,9-11,13-17H2,1H3,(H2,27,28,29);6-7,11,17H,2-5,8-10,12-16H2,1H3,(H2,26,27,28);8-10,15,19H,2,4-7,11-14,16-17H2,1,3H3,(H2,26,27,28);6-7,11,16H,4-5,8-10,12-15H2,1-3H3,(H2,25,26,27);6-7,13,18H,1-5,8-12,14-15H2,(H2,24,26,27);7-10,15H,2,5-6,11-13H2,1,3H3,(H2,22,24,25).

What are the key properties of 4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2516.32 g/mol, XLogP of 21.51, 42 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159636368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).