2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide

C15H25N7O4 — CID 73327406

IUPAC2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide
SMILESCOCCN1C(N2CCN(CC(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C15H25N7O4/c1-19-12-11(13(24)18-15(19)25)22(7-8-26-2)14(17-12)21-5-3-20(4-6-21)9-10(16)23/h11-12H,3-9H2,1-2H3,(H2,16,23)(H,18,24,25)
InChIKeyKXBHWEHXKYPOBG-UHFFFAOYSA-N
MW367.41 g/mol
LogP-2.72
Rot. Bonds5

About 2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide

2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide (PubChem CID 73327406) has the molecular formula C15H25N7O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide
PubChem CID73327406
Molecular FormulaC15H25N7O4
Molecular Weight367.41 g/mol
Exact Mass367.20
IUPAC Name2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide
SMILESCOCCN1C(N2CCN(CC(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C15H25N7O4/c1-19-12-11(13(24)18-15(19)25)22(7-8-26-2)14(17-12)21-5-3-20(4-6-21)9-10(16)23/h11-12H,3-9H2,1-2H3,(H2,16,23)(H,18,24,25)
InChIKeyKXBHWEHXKYPOBG-UHFFFAOYSA-N
XLogP-2.72
TPSA123.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 5-2.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

1,3,7-Trimethyl-8-[(2-morpholinoethyl)amino]-3,4,5,7-tetrahydro-1H-purine-2,6-dione
CID 135490196
8-[4-(2,2-Difluoroethyl)piperazin-1-yl]-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 133569139
methyl (2S)-2-(1-methyl-2,6-dioxo-4,5-dihydro-3H-purin-7-yl)propanoate
CID 118471983
methyl 2-(1-methyl-2,6-dioxo-4,5-dihydro-3H-purin-7-yl)propanoate
CID 118471984
N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
CID 142690130
1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 4090639
1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 4090640
(4S,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936424
(4S,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936425
(4R,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936426
(4R,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936427
(4S,5S)-1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936428

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide (CID 73327406) is 2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide is COCCN1C(N2CCN(CC(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide?
The InChIKey is KXBHWEHXKYPOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O4/c1-19-12-11(13(24)18-15(19)25)22(7-8-26-2)14(17-12)21-5-3-20(4-6-21)9-10(16)23/h11-12H,3-9H2,1-2H3,(H2,16,23)(H,18,24,25).
What are the key properties of 2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide?
2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide has a molecular weight of 367.41 g/mol, XLogP of -2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 73327406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).