N-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide

C24H33N7O3 — CID 25221126

IUPACN-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide
SMILESCCCCOc1nc(NCCN2CCOCC2)c2ncn(Cc3ccc(NC(C)=O)cc3)c2n1
InChIInChI=1S/C24H33N7O3/c1-3-4-13-34-24-28-22(25-9-10-30-11-14-33-15-12-30)21-23(29-24)31(17-26-21)16-19-5-7-20(8-6-19)27-18(2)32/h5-8,17H,3-4,9-16H2,1-2H3,(H,27,32)(H,25,28,29)
InChIKeyZGSSCWCQPFCWPB-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.76
Rot. Bonds11

About N-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide

N-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide (PubChem CID 25221126) has the molecular formula C24H33N7O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide
PubChem CID25221126
Molecular FormulaC24H33N7O3
Molecular Weight467.57 g/mol
Exact Mass467.26
IUPAC NameN-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide
SMILESCCCCOc1nc(NCCN2CCOCC2)c2ncn(Cc3ccc(NC(C)=O)cc3)c2n1
InChIInChI=1S/C24H33N7O3/c1-3-4-13-34-24-28-22(25-9-10-30-11-14-33-15-12-30)21-23(29-24)31(17-26-21)16-19-5-7-20(8-6-19)27-18(2)32/h5-8,17H,3-4,9-16H2,1-2H3,(H,27,32)(H,25,28,29)
InChIKeyZGSSCWCQPFCWPB-UHFFFAOYSA-N
XLogP2.76
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]benzonitrile
CID 68854061
2-butoxy-N-(2-morpholin-4-ylethyl)-9-[(2,3,5,6-tetramethylphenyl)methyl]purin-6-amine
CID 25221240
9-[(2-bromo-5-methoxyphenyl)methyl]-2-butoxy-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 25221243
9-[(5-amino-2-methoxyphenyl)methyl]-2-butoxy-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 25222578
N-[4-[[2-morpholin-4-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]phenyl]acetamide
CID 117086112
N-[4-[[2-(4-morpholin-4-ylanilino)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]phenyl]acetamide
CID 117080718
2-N-(2-morpholin-4-ylethyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-6-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117080394
ethyl 4-methyl-2-[[9-[(4-methylsulfonylphenyl)methyl]-6-(3-morpholin-4-ylpropylamino)purin-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 10167892
ethyl 2-[2-chloro-6-(2-morpholin-4-ylethylamino)purin-9-yl]acetate;ethyl 2-(2,6-dichloropurin-9-yl)acetate;2-morpholin-4-ylethanamine
CID 157487175
2-butoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806988
N-(4-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366426
N-(4-methoxyphenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207674

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide (CID 25221126) is N-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide is CCCCOc1nc(NCCN2CCOCC2)c2ncn(Cc3ccc(NC(C)=O)cc3)c2n1.
What is the InChIKey of N-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide?
The InChIKey is ZGSSCWCQPFCWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O3/c1-3-4-13-34-24-28-22(25-9-10-30-11-14-33-15-12-30)21-23(29-24)31(17-26-21)16-19-5-7-20(8-6-19)27-18(2)32/h5-8,17H,3-4,9-16H2,1-2H3,(H,27,32)(H,25,28,29).
What are the key properties of N-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide?
N-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide has a molecular weight of 467.57 g/mol, XLogP of 2.76, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 25221126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).