N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide)

C61H87N35O10 — CID 159289432

IUPACN-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide)
SMILESCC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21.CC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21.CC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21.CC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21.CCC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C13H19N7O2.4C12H17N7O2/c1-2-9(21)5-19(4-3-14)10(22)6-20-8-18-11-12(15)16-7-17-13(11)20;4*1-8(20)4-18(3-2-13)9(21)5-19-7-17-10-11(14)15-6-16-12(10)19/h7-8H,2-6,14H2,1H3,(H2,15,16,17);4*6-7H,2-5,13H2,1H3,(H2,14,15,16)
InChIKeyKZXPNZUTLFQJEA-UHFFFAOYSA-N
MW1470.60 g/mol
LogP-5.69
Rot. Bonds31

About N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide)

N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide) (PubChem CID 159289432) has the molecular formula C61H87N35O10 and a molecular weight of 1470.60 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide).

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide)
PubChem CID159289432
Molecular FormulaC61H87N35O10
Molecular Weight1470.60 g/mol
Exact Mass1469.74
IUPAC NameN-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide)
SMILESCC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21.CC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21.CC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21.CC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21.CCC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C13H19N7O2.4C12H17N7O2/c1-2-9(21)5-19(4-3-14)10(22)6-20-8-18-11-12(15)16-7-17-13(11)20;4*1-8(20)4-18(3-2-13)9(21)5-19-7-17-10-11(14)15-6-16-12(10)19/h7-8H,2-6,14H2,1H3,(H2,15,16,17);4*6-7H,2-5,13H2,1H3,(H2,14,15,16)
InChIKeyKZXPNZUTLFQJEA-UHFFFAOYSA-N
XLogP-5.69
TPSA665.10 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds31
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001470.60
LogP ≤ 5-5.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

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Related Compounds

2-[2-[[2-[2-aminoethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetic acid
CID 58403796
1-[2-aminoethyl-[2-(6-aminopurin-9-yl)-1-hydroxyethyl]amino]propan-2-one
CID 143306855
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
N-(2-aminoethyl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-(2-oxobutyl)amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-2-(4-amino-2-oxopyrimidin-1-yl)acetamide
CID 174352182
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088
2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid
CID 21106019
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-[2-[2-[[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]amino]ethylamino]-2-oxoethyl]acetamide
CID 44589067
2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide
CID 166164333
1-(6-aminopurin-9-yl)ethanone
CID 56662952
N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide
CID 155359347
(E)-5-(6-aminopurin-9-yl)pent-3-en-2-one
CID 71531295

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide)?
The IUPAC name of N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide) (CID 159289432) is N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide).
What is the SMILES notation for N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide)?
The canonical SMILES for N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide) is CC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21.CC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21.CC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21.CC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21.CCC(=O)CN(CCN)C(=O)Cn1cnc2c(N)ncnc21.
What is the InChIKey of N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide)?
The InChIKey is KZXPNZUTLFQJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O2.4C12H17N7O2/c1-2-9(21)5-19(4-3-14)10(22)6-20-8-18-11-12(15)16-7-17-13(11)20;4*1-8(20)4-18(3-2-13)9(21)5-19-7-17-10-11(14)15-6-16-12(10)19/h7-8H,2-6,14H2,1H3,(H2,15,16,17);4*6-7H,2-5,13H2,1H3,(H2,14,15,16).
What are the key properties of N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide)?
N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide) has a molecular weight of 1470.60 g/mol, XLogP of -5.69, 31 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxobutyl)acetamide;tetrakis(N-(2-aminoethyl)-2-(6-aminopurin-9-yl)-N-(2-oxopropyl)acetamide) is sourced from PubChem (CID 159289432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).