4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one

C114H152ClF3N30O13S — CID 159984247

About 4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one

4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one (PubChem CID 159984247) has the molecular formula C114H152ClF3N30O13S and a molecular weight of 2275.18 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
• PubChem CID: 159984247
• Molecular Formula: C114H152ClF3N30O13S
• Molecular Weight: 2275.18 g/mol
• Exact Mass: 2273.15
• IUPAC Name: 4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
• SMILES: CCCCOc1nc(N)c2c(n1)N(Cc1cc(CN3CCCC3)cc(C(F)(F)F)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(Cl)c(CN3CCCC3)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN(CC3CC3)C(C)=O)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN(CC3CC3)S(C)(=O)=O)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CNCC3CC3)c1)CC(=O)N2
• InChI: InChI=1S/C24H32N6O3.C23H29F3N6O2.C23H32N6O4S.C22H29ClN6O2.C22H30N6O2/c1-3-4-10-33-24-27-22(25)21-23(28-24)30(15-20(32)26-21)14-19-7-5-6-18(11-19)13-29(16(2)31)12-17-8-9-17;1-2-3-8-34-22-29-20(27)19-21(30-22)32(14-18(33)28-19)13-16-9-15(12-31-6-4-5-7-31)10-17(11-16)23(24,25)26;1-3-4-10-33-23-26-21(24)20-22(27-23)28(15-19(30)25-20)12-17-6-5-7-18(11-17)14-29(34(2,31)32)13-16-8-9-16;1-2-3-10-31-22-26-20(24)19-21(27-22)29(14-18(30)25-19)12-15-6-7-17(23)16(11-15)13-28-8-4-5-9-28;1-2-3-9-30-22-26-20(23)19-21(27-22)28(14-18(29)25-19)13-17-6-4-5-16(10-17)12-24-11-15-7-8-15/h5-7,11,17H,3-4,8-10,12-15H2,1-2H3,(H,26,32)(H2,25,27,28);9-11H,2-8,12-14H2,1H3,(H,28,33)(H2,27,29,30);5-7,11,16H,3-4,8-10,12-15H2,1-2H3,(H,25,30)(H2,24,26,27);6-7,11H,2-5,8-10,12-14H2,1H3,(H,25,30)(H2,24,26,27);4-6,10,15,24H,2-3,7-9,11-14H2,1H3,(H,25,29)(H2,23,26,27)
• InChIKey: OGDAOCAQWFQIJD-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 543.05 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 47
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2275.18
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

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-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one?

The IUPAC name of 4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one (CID 159984247) is 4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one.

What is the SMILES notation for 4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one?

The canonical SMILES for 4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one is CCCCOc1nc(N)c2c(n1)N(Cc1cc(CN3CCCC3)cc(C(F)(F)F)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(Cl)c(CN3CCCC3)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN(CC3CC3)C(C)=O)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN(CC3CC3)S(C)(=O)=O)c1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CNCC3CC3)c1)CC(=O)N2.

What is the InChIKey of 4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one?

The InChIKey is OGDAOCAQWFQIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3.C23H29F3N6O2.C23H32N6O4S.C22H29ClN6O2.C22H30N6O2/c1-3-4-10-33-24-27-22(25)21-23(28-24)30(15-20(32)26-21)14-19-7-5-6-18(11-19)13-29(16(2)31)12-17-8-9-17;1-2-3-8-34-22-29-20(27)19-21(30-22)32(14-18(33)28-19)13-16-9-15(12-31-6-4-5-7-31)10-17(11-16)23(24,25)26;1-3-4-10-33-23-26-21(24)20-22(27-23)28(15-19(30)25-20)12-17-6-5-7-18(11-17)14-29(34(2,31)32)13-16-8-9-16;1-2-3-10-31-22-26-20(24)19-21(27-22)29(14-18(30)25-19)12-15-6-7-17(23)16(11-15)13-28-8-4-5-9-28;1-2-3-9-30-22-26-20(23)19-21(27-22)28(14-18(29)25-19)13-17-6-4-5-16(10-17)12-24-11-15-7-8-15/h5-7,11,17H,3-4,8-10,12-15H2,1-2H3,(H,26,32)(H2,25,27,28);9-11H,2-8,12-14H2,1H3,(H,28,33)(H2,27,29,30);5-7,11,16H,3-4,8-10,12-15H2,1-2H3,(H,25,30)(H2,24,26,27);6-7,11H,2-5,8-10,12-14H2,1H3,(H,25,30)(H2,24,26,27);4-6,10,15,24H,2-3,7-9,11-14H2,1H3,(H,25,29)(H2,23,26,27).

What are the key properties of 4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one?

4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one has a molecular weight of 2275.18 g/mol, XLogP of 15.28, 47 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropteridin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)methanesulfonamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 159984247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).