2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride

C14H23ClN6O3 — CID 120654622

IUPAC2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O.Cl
InChIInChI=1S/C14H22N6O3.ClH/c1-5-15-9(2)6-16-10(21)7-20-13(22)11-12(17-8-18(11)3)19(4)14(20)23;/h8-9,15H,5-7H2,1-4H3,(H,16,21);1H/t9-;/m1./s1
InChIKeyMERFCKGTIAHARJ-SBSPUUFOSA-N
MW358.83 g/mol
LogP-1.03
Rot. Bonds6

About 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride (PubChem CID 120654622) has the molecular formula C14H23ClN6O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
PubChem CID120654622
Molecular FormulaC14H23ClN6O3
Molecular Weight358.83 g/mol
Exact Mass358.15
IUPAC Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O.Cl
InChIInChI=1S/C14H22N6O3.ClH/c1-5-15-9(2)6-16-10(21)7-20-13(22)11-12(17-8-18(11)3)19(4)14(20)23;/h8-9,15H,5-7H2,1-4H3,(H,16,21);1H/t9-;/m1./s1
InChIKeyMERFCKGTIAHARJ-SBSPUUFOSA-N
XLogP-1.03
TPSA102.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride with MolForge

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Related Compounds

N-(3-aminobutyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide;hydrochloride
CID 119494937
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 119525371
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 51153692
(2R)-2-[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]propanoic acid
CID 119369953
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 18161005
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 167977296
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444940
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
CID 55660023
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 47096637
N-[2-(4-chlorophenyl)ethyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 27646584
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 26696316
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 55576879

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride (CID 120654622) is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride is CCN[C@H](C)CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O.Cl.
What is the InChIKey of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The InChIKey is MERFCKGTIAHARJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C14H22N6O3.ClH/c1-5-15-9(2)6-16-10(21)7-20-13(22)11-12(17-8-18(11)3)19(4)14(20)23;/h8-9,15H,5-7H2,1-4H3,(H,16,21);1H/t9-;/m1./s1.
What are the key properties of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride has a molecular weight of 358.83 g/mol, XLogP of -1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120654622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).