2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide

C14H21N7O3 — CID 645735

IUPAC2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide
SMILESCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)CC1
InChIInChI=1S/C14H21N7O3/c1-17-4-6-20(7-5-17)13-16-11-10(21(13)8-9(15)22)12(23)19(3)14(24)18(11)2/h4-8H2,1-3H3,(H2,15,22)
InChIKeyOAZYZNIFBMDSFR-UHFFFAOYSA-N
MW335.37 g/mol
LogP-2.33
Rot. Bonds3

About 2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide

2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide (PubChem CID 645735) has the molecular formula C14H21N7O3 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide.

Molecular Properties

Compound Name2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide
PubChem CID645735
Molecular FormulaC14H21N7O3
Molecular Weight335.37 g/mol
Exact Mass335.17
IUPAC Name2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide
SMILESCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)CC1
InChIInChI=1S/C14H21N7O3/c1-17-4-6-20(7-5-17)13-16-11-10(21(13)8-9(15)22)12(23)19(3)14(24)18(11)2/h4-8H2,1-3H3,(H2,15,22)
InChIKeyOAZYZNIFBMDSFR-UHFFFAOYSA-N
XLogP-2.33
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 5-2.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide?
The IUPAC name of 2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide (CID 645735) is 2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide.
What is the SMILES notation for 2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide?
The canonical SMILES for 2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide is CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)CC1.
What is the InChIKey of 2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide?
The InChIKey is OAZYZNIFBMDSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O3/c1-17-4-6-20(7-5-17)13-16-11-10(21(13)8-9(15)22)12(23)19(3)14(24)18(11)2/h4-8H2,1-3H3,(H2,15,22).
What are the key properties of 2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide?
2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide has a molecular weight of 335.37 g/mol, XLogP of -2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetamide is sourced from PubChem (CID 645735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).