4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine

C128H185BrN44O6 — CID 163693205

IUPAC4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine
SMILESCCCCNc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CC)cc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CC)cc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CC)cc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1cccc(CC)c1)C(=O)C2.CCCCNc1nc(N)c2nc(Br)n(Cc3ccc(CC)cc3)c2n1.N.N.N.N.N.N
InChIInChI=1S/4C19H25N5O.C18H23BrN6.2C17H22N6O.6H3N/c3*1-3-5-10-21-19-22-17(20)15-11-16(25)24(18(15)23-19)12-14-8-6-13(4-2)7-9-14;1-3-5-9-21-19-22-17(20)15-11-16(25)24(18(15)23-19)12-14-8-6-7-13(4-2)10-14;1-3-5-10-21-18-23-15(20)14-16(24-18)25(17(19)22-14)11-13-8-6-12(4-2)7-9-13;2*1-3-4-7-19-17-21-15(18)13-8-14(24)23(16(13)22-17)10-12-6-5-11(2)20-9-12;;;;;;/h3*6-9H,3-5,10-12H2,1-2H3,(H3,20,21,22,23);6-8,10H,3-5,9,11-12H2,1-2H3,(H3,20,21,22,23);6-9H,3-5,10-11H2,1-2H3,(H3,20,21,23,24);2*5-6,9H,3-4,7-8,10H2,1-2H3,(H3,18,19,21,22);6*1H3
InChIKeyXOHZSVUGCTXIAU-UHFFFAOYSA-N
MW2516.09 g/mol
LogP20.78
Rot. Bonds47

About 4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine

4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine (PubChem CID 163693205) has the molecular formula C128H185BrN44O6 and a molecular weight of 2516.09 g/mol. Its IUPAC name is 4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine.

Molecular Properties

Compound Name4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine
PubChem CID163693205
Molecular FormulaC128H185BrN44O6
Molecular Weight2516.09 g/mol
Exact Mass2513.47
IUPAC Name4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine
SMILESCCCCNc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CC)cc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CC)cc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CC)cc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1cccc(CC)c1)C(=O)C2.CCCCNc1nc(N)c2nc(Br)n(Cc3ccc(CC)cc3)c2n1.N.N.N.N.N.N
InChIInChI=1S/4C19H25N5O.C18H23BrN6.2C17H22N6O.6H3N/c3*1-3-5-10-21-19-22-17(20)15-11-16(25)24(18(15)23-19)12-14-8-6-13(4-2)7-9-14;1-3-5-9-21-19-22-17(20)15-11-16(25)24(18(15)23-19)12-14-8-6-7-13(4-2)10-14;1-3-5-10-21-18-23-15(20)14-16(24-18)25(17(19)22-14)11-13-8-6-12(4-2)7-9-13;2*1-3-4-7-19-17-21-15(18)13-8-14(24)23(16(13)22-17)10-12-6-5-11(2)20-9-12;;;;;;/h3*6-9H,3-5,10-12H2,1-2H3,(H3,20,21,22,23);6-8,10H,3-5,9,11-12H2,1-2H3,(H3,20,21,22,23);6-9H,3-5,10-11H2,1-2H3,(H3,20,21,23,24);2*5-6,9H,3-4,7-8,10H2,1-2H3,(H3,18,19,21,22);6*1H3
InChIKeyXOHZSVUGCTXIAU-UHFFFAOYSA-N
XLogP20.78
TPSA822.27 Ų
H-Bond Donors20
H-Bond Acceptors44
Rotatable Bonds47
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002516.09
LogP ≤ 520.78
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine with MolForge

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Related Compounds

4-amino-7-[(3-ethylphenyl)methyl]-2-(pentylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 163985248
9-benzyl-8-bromo-2-N-pentylpurine-2,6-diamine
CID 18332813
7-benzyl-2-N-butyl-6-methylidene-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 163584990
6-amino-2-(butylamino)-9-[(4-ethylphenyl)methyl]-7H-purin-8-one
CID 126630337
8-bromo-2-N-butyl-9-(pyrazin-2-ylmethyl)purine-2,6-diamine
CID 11610524
4-amino-7-[(3-ethylphenyl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159255276
4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 147919325
2-(butylamino)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158193443
9-benzyl-2-N-butyl-8-(5-methoxy-3-pyridinyl)purine-2,6-diamine
CID 138700814
methyl 2-[3-[6-amino-8-bromo-2-(butylamino)purin-9-yl]phenyl]acetate
CID 160822756
methyl 2-[3-[[6-amino-2-(butylamino)purin-9-yl]methyl]phenyl]acetate
CID 160871672
tert-butyl 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoate
CID 137414059

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine?
The IUPAC name of 4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine (CID 163693205) is 4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine.
What is the SMILES notation for 4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine?
The canonical SMILES for 4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine is CCCCNc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CC)cc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CC)cc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1ccc(CC)cc1)C(=O)C2.CCCCNc1nc(N)c2c(n1)N(Cc1cccc(CC)c1)C(=O)C2.CCCCNc1nc(N)c2nc(Br)n(Cc3ccc(CC)cc3)c2n1.N.N.N.N.N.N.
What is the InChIKey of 4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine?
The InChIKey is XOHZSVUGCTXIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C19H25N5O.C18H23BrN6.2C17H22N6O.6H3N/c3*1-3-5-10-21-19-22-17(20)15-11-16(25)24(18(15)23-19)12-14-8-6-13(4-2)7-9-14;1-3-5-9-21-19-22-17(20)15-11-16(25)24(18(15)23-19)12-14-8-6-7-13(4-2)10-14;1-3-5-10-21-18-23-15(20)14-16(24-18)25(17(19)22-14)11-13-8-6-12(4-2)7-9-13;2*1-3-4-7-19-17-21-15(18)13-8-14(24)23(16(13)22-17)10-12-6-5-11(2)20-9-12;;;;;;/h3*6-9H,3-5,10-12H2,1-2H3,(H3,20,21,22,23);6-8,10H,3-5,9,11-12H2,1-2H3,(H3,20,21,22,23);6-9H,3-5,10-11H2,1-2H3,(H3,20,21,23,24);2*5-6,9H,3-4,7-8,10H2,1-2H3,(H3,18,19,21,22);6*1H3.
What are the key properties of 4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine?
4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine has a molecular weight of 2516.09 g/mol, XLogP of 20.78, 47 rotatable bonds, 20 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(butylamino)-7-[(3-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;tris(4-amino-2-(butylamino)-7-[(4-ethylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(4-amino-2-(butylamino)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);azane;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine is sourced from PubChem (CID 163693205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).