4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine

C115H147N23O6 — CID 167562596

About 4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine

4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 167562596) has the molecular formula C115H147N23O6 and a molecular weight of 1947.60 g/mol. Its IUPAC name is 4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine
• PubChem CID: 167562596
• Molecular Formula: C115H147N23O6
• Molecular Weight: 1947.60 g/mol
• Exact Mass: 1946.19
• IUPAC Name: 4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine
• SMILES: CCCCOc1nc(N)c2c(n1)C(Cc1ccc(CN3CCCC3)cc1)=C(C(N)=O)C2.CCCCOc1nc(N)c2c(n1)C(Cc1ccc(CN3CCN(C)CC3)cc1)=C(C#N)C2.CCCCOc1nc(N)c2c(n1)C(Cc1ccc3c(c1)CN(C)CC3)=CC2.CCCCOc1nc(N)c2c(n1)C(Cc1ccc3c(c1)CN(CC)CC3)=CC2.CCCCOc1nc(N)c2c(n1)C(Cc1ccc3c(c1)CNCC3)=CC2
• InChI: InChI=1S/C25H32N6O.C24H31N5O2.C23H30N4O.C22H28N4O.C21H26N4O/c1-3-4-13-32-25-28-23-21(20(16-26)15-22(23)24(27)29-25)14-18-5-7-19(8-6-18)17-31-11-9-30(2)10-12-31;1-2-3-12-31-24-27-21-18(19(23(26)30)14-20(21)22(25)28-24)13-16-6-8-17(9-7-16)15-29-10-4-5-11-29;1-3-5-12-28-23-25-21-18(8-9-20(21)22(24)26-23)13-16-6-7-17-10-11-27(4-2)15-19(17)14-16;1-3-4-11-27-22-24-20-17(7-8-19(20)21(23)25-22)12-15-5-6-16-9-10-26(2)14-18(16)13-15;1-2-3-10-26-21-24-19-16(6-7-18(19)20(22)25-21)11-14-4-5-15-8-9-23-13-17(15)12-14/h5-8H,3-4,9-15,17H2,1-2H3,(H2,27,28,29);6-9H,2-5,10-15H2,1H3,(H2,26,30)(H2,25,27,28);6-8,14H,3-5,9-13,15H2,1-2H3,(H2,24,25,26);5-7,13H,3-4,8-12,14H2,1-2H3,(H2,23,24,25);4-6,12,23H,2-3,7-11,13H2,1H3,(H2,22,24,25)
• InChIKey: DVWYBSUOADYXHQ-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 400.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1947.60
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

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-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine?

The IUPAC name of 4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine (CID 167562596) is 4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine.

What is the SMILES notation for 4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine?

The canonical SMILES for 4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine is CCCCOc1nc(N)c2c(n1)C(Cc1ccc(CN3CCCC3)cc1)=C(C(N)=O)C2.CCCCOc1nc(N)c2c(n1)C(Cc1ccc(CN3CCN(C)CC3)cc1)=C(C#N)C2.CCCCOc1nc(N)c2c(n1)C(Cc1ccc3c(c1)CN(C)CC3)=CC2.CCCCOc1nc(N)c2c(n1)C(Cc1ccc3c(c1)CN(CC)CC3)=CC2.CCCCOc1nc(N)c2c(n1)C(Cc1ccc3c(c1)CNCC3)=CC2.

What is the InChIKey of 4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine?

The InChIKey is DVWYBSUOADYXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O.C24H31N5O2.C23H30N4O.C22H28N4O.C21H26N4O/c1-3-4-13-32-25-28-23-21(20(16-26)15-22(23)24(27)29-25)14-18-5-7-19(8-6-18)17-31-11-9-30(2)10-12-31;1-2-3-12-31-24-27-21-18(19(23(26)30)14-20(21)22(25)28-24)13-16-6-8-17(9-7-16)15-29-10-4-5-11-29;1-3-5-12-28-23-25-21-18(8-9-20(21)22(24)26-23)13-16-6-7-17-10-11-27(4-2)15-19(17)14-16;1-3-4-11-27-22-24-20-17(7-8-19(20)21(23)25-22)12-15-5-6-16-9-10-26(2)14-18(16)13-15;1-2-3-10-26-21-24-19-16(6-7-18(19)20(22)25-21)11-14-4-5-15-8-9-23-13-17(15)12-14/h5-8H,3-4,9-15,17H2,1-2H3,(H2,27,28,29);6-9H,2-5,10-15H2,1H3,(H2,26,30)(H2,25,27,28);6-8,14H,3-5,9-13,15H2,1-2H3,(H2,24,25,26);5-7,13H,3-4,8-12,14H2,1-2H3,(H2,23,24,25);4-6,12,23H,2-3,7-11,13H2,1H3,(H2,22,24,25).

What are the key properties of 4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine?

4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 1947.60 g/mol, XLogP of 16.20, 36 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carbonitrile;4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-cyclopenta[d]pyrimidine-6-carboxamide;2-butoxy-7-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5H-cyclopenta[d]pyrimidin-4-amine;2-butoxy-7-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 167562596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).