2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C14H21ClN6O3 — CID 119550050

IUPAC2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CCNC1.Cl
InChIInChI=1S/C14H20N6O3.ClH/c1-17-8-16-12-11(17)13(22)20(14(23)19(12)3)7-10(21)18(2)9-4-5-15-6-9;/h8-9,15H,4-7H2,1-3H3;1H
InChIKeyNQUGXEVSRVCNFY-UHFFFAOYSA-N
MW356.81 g/mol
LogP-1.32
Rot. Bonds3

About 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119550050) has the molecular formula C14H21ClN6O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119550050
Molecular FormulaC14H21ClN6O3
Molecular Weight356.81 g/mol
Exact Mass356.14
IUPAC Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CCNC1.Cl
InChIInChI=1S/C14H20N6O3.ClH/c1-17-8-16-12-11(17)13(22)20(14(23)19(12)3)7-10(21)18(2)9-4-5-15-6-9;/h8-9,15H,4-7H2,1-3H3;1H
InChIKeyNQUGXEVSRVCNFY-UHFFFAOYSA-N
XLogP-1.32
TPSA94.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119550051
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529913
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 47096637
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 17407973
N-[(5-bromothiophen-2-yl)methyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methylacetamide
CID 55360436
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444940
N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 99780315
2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119550121
1-[2-(4-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione
CID 129099904
3,7-dimethyl-1-(2-oxo-2-thiomorpholin-4-ylethyl)purine-2,6-dione
CID 56797112
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 40656576
N,1,3-trimethyl-2,4-dioxo-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-7-carboxamide
CID 119553347

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119550050) is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride is CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CCNC1.Cl.
What is the InChIKey of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is NQUGXEVSRVCNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3.ClH/c1-17-8-16-12-11(17)13(22)20(14(23)19(12)3)7-10(21)18(2)9-4-5-15-6-9;/h8-9,15H,4-7H2,1-3H3;1H.
What are the key properties of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 356.81 g/mol, XLogP of -1.32, 3 rotatable bonds, 1 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-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119550050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).