2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane

C15H25N7O3 — CID 166164332

IUPAC2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane
SMILESCC.CNCCN(CC(C)=O)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C13H19N7O3.C2H6/c1-8(21)5-19(4-3-15-2)9(22)6-20-7-16-10-11(20)17-13(14)18-12(10)23;1-2/h7,15H,3-6H2,1-2H3,(H3,14,17,18,23);1-2H3
InChIKeyPQCHYVCUDDFIGZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP-0.63
Rot. Bonds7

About 2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane

2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane (PubChem CID 166164332) has the molecular formula C15H25N7O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane.

Molecular Properties

Compound Name2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane
PubChem CID166164332
Molecular FormulaC15H25N7O3
Molecular Weight351.41 g/mol
Exact Mass351.20
IUPAC Name2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane
SMILESCC.CNCCN(CC(C)=O)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C13H19N7O3.C2H6/c1-8(21)5-19(4-3-15-2)9(22)6-20-7-16-10-11(20)17-13(14)18-12(10)23;1-2/h7,15H,3-6H2,1-2H3,(H3,14,17,18,23);1-2H3
InChIKeyPQCHYVCUDDFIGZ-UHFFFAOYSA-N
XLogP-0.63
TPSA139.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide
CID 166164333
N-[2-(methylamino)ethyl]-2-[2-(methylamino)-6-oxo-1H-purin-9-yl]-N-(2-oxopropyl)acetamide
CID 160551084
N-(2-aminoethyl)-N-[2-[2-[(2-amino-2-oxoethyl)-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(2-amino-6-oxo-1H-purin-9-yl)acetamide
CID 137125275
2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-aminopropyl]amino]acetic acid
CID 137348200
N-(2-aminoethyl)-2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-oxo-2-[3-[3,6,8-tris[3-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]prop-1-ynyl]pyren-1-yl]prop-2-ynylamino]ethyl]acetamide
CID 177386295
2-[2-(2,2-dimethylpropanoylamino)ethyl-[2-[2-(methylamino)-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid
CID 135977659
2-[2-acetamidoethyl-[2-[2-(iodophosphanylamino)-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid
CID 136642502
ethane;ethene;2-[2-(hydroxymethylamino)ethyl-[2-[6-oxo-2-(phosphanylamino)-1H-purin-9-yl]acetyl]amino]acetic acid
CID 143450863
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
CID 153365638
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
CID 24901720
CID 24901720

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane?
The IUPAC name of 2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane (CID 166164332) is 2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane.
What is the SMILES notation for 2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane?
The canonical SMILES for 2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane is CC.CNCCN(CC(C)=O)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane?
The InChIKey is PQCHYVCUDDFIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O3.C2H6/c1-8(21)5-19(4-3-15-2)9(22)6-20-7-16-10-11(20)17-13(14)18-12(10)23;1-2/h7,15H,3-6H2,1-2H3,(H3,14,17,18,23);1-2H3.
What are the key properties of 2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane?
2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane has a molecular weight of 351.41 g/mol, XLogP of -0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide;ethane is sourced from PubChem (CID 166164332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).