sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine

C73H101BrClN24NaO11 — CID 165027324

About sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine

sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine (PubChem CID 165027324) has the molecular formula C73H101BrClN24NaO11 and a molecular weight of 1629.11 g/mol. Its IUPAC name is sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine.

Molecular Properties

• Compound Name: sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine
• PubChem CID: 165027324
• Molecular Formula: C73H101BrClN24NaO11
• Molecular Weight: 1629.11 g/mol
• Exact Mass: 1626.69
• IUPAC Name: sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine
• SMILES: CCCCOc1nc(N)c2[nH]c(Br)nc2n1.CCCCOc1nc(N)c2[nH]c(OC)nc2n1.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(CCl)cc1)C(=O)C2.CCCCOc1nc(N)c2nc(OC)n(Cc3ccc(CO)cc3)c2n1.CCCCOc1nc(N)c2ncn(C3CCCCO3)c2n1.CCCC[O-].[Na+]
• InChI: InChI=1S/C18H21ClN4O2.C18H23N5O3.C14H21N5O2.C10H15N5O2.C9H12BrN5O.C4H9O.Na/c1-2-3-8-25-18-21-16(20)14-9-15(24)23(17(14)22-18)11-13-6-4-12(10-19)5-7-13;1-3-4-9-26-17-21-15(19)14-16(22-17)23(18(20-14)25-2)10-12-5-7-13(11-24)8-6-12;1-2-3-7-21-14-17-12(15)11-13(18-14)19(9-16-11)10-6-4-5-8-20-10;1-3-4-5-17-10-13-7(11)6-8(15-10)14-9(12-6)16-2;1-2-3-4-16-9-13-6(11)5-7(15-9)14-8(10)12-5;1-2-3-4-5;/h4-7H,2-3,8-11H2,1H3,(H2,20,21,22);5-8,24H,3-4,9-11H2,1-2H3,(H2,19,21,22);9-10H,2-8H2,1H3,(H2,15,17,18);3-5H2,1-2H3,(H3,11,12,13,14,15);2-4H2,1H3,(H3,11,12,13,14,15);2-4H2,1H3;/q;;;;;-1;+1
• InChIKey: DKYWCLNEWFODHJ-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 489.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1629.11
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine?

The IUPAC name of sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine (CID 165027324) is sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine.

What is the SMILES notation for sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine?

The canonical SMILES for sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine is CCCCOc1nc(N)c2[nH]c(Br)nc2n1.CCCCOc1nc(N)c2[nH]c(OC)nc2n1.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(CCl)cc1)C(=O)C2.CCCCOc1nc(N)c2nc(OC)n(Cc3ccc(CO)cc3)c2n1.CCCCOc1nc(N)c2ncn(C3CCCCO3)c2n1.CCCC[O-].[Na+].

What is the InChIKey of sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine?

The InChIKey is DKYWCLNEWFODHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2.C18H23N5O3.C14H21N5O2.C10H15N5O2.C9H12BrN5O.C4H9O.Na/c1-2-3-8-25-18-21-16(20)14-9-15(24)23(17(14)22-18)11-13-6-4-12(10-19)5-7-13;1-3-4-9-26-17-21-15(19)14-16(22-17)23(18(20-14)25-2)10-12-5-7-13(11-24)8-6-12;1-2-3-7-21-14-17-12(15)11-13(18-14)19(9-16-11)10-6-4-5-8-20-10;1-3-4-5-17-10-13-7(11)6-8(15-10)14-9(12-6)16-2;1-2-3-4-16-9-13-6(11)5-7(15-9)14-8(10)12-5;1-2-3-4-5;/h4-7H,2-3,8-11H2,1H3,(H2,20,21,22);5-8,24H,3-4,9-11H2,1-2H3,(H2,19,21,22);9-10H,2-8H2,1H3,(H2,15,17,18);3-5H2,1-2H3,(H3,11,12,13,14,15);2-4H2,1H3,(H3,11,12,13,14,15);2-4H2,1H3;/q;;;;;-1;+1.

What are the key properties of sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine?

sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine has a molecular weight of 1629.11 g/mol, XLogP of 7.64, 31 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine is sourced from PubChem (CID 165027324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).