2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide

C13H20N6O4 — CID 73282370

IUPAC2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
SMILESCN1C(=O)NC(=O)C2C1N=C(CN1CCOCC1)N2CC(N)=O
InChIInChI=1S/C13H20N6O4/c1-17-11-10(12(21)16-13(17)22)19(6-8(14)20)9(15-11)7-18-2-4-23-5-3-18/h10-11H,2-7H2,1H3,(H2,14,20)(H,16,21,22)
InChIKeyKIPURSWXMPCQOQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP-2.61
Rot. Bonds4

About 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide

2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide (PubChem CID 73282370) has the molecular formula C13H20N6O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide.

Molecular Properties

Compound Name2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
PubChem CID73282370
Molecular FormulaC13H20N6O4
Molecular Weight324.34 g/mol
Exact Mass324.15
IUPAC Name2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
SMILESCN1C(=O)NC(=O)C2C1N=C(CN1CCOCC1)N2CC(N)=O
InChIInChI=1S/C13H20N6O4/c1-17-11-10(12(21)16-13(17)22)19(6-8(14)20)9(15-11)7-18-2-4-23-5-3-18/h10-11H,2-7H2,1H3,(H2,14,20)(H,16,21,22)
InChIKeyKIPURSWXMPCQOQ-UHFFFAOYSA-N
XLogP-2.61
TPSA120.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 5-2.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
1,3,6-Trimethyl-7-methoxy-2,4-dioxo-tetrahydro-pteridin
CID 129656934
3-Methyl-6-(3-morpholin-4-ylpropylimino)-5-nitro-1,3-diazinane-2,4-dione
CID 145918466
3-Methyl-6-(2-morpholin-4-ylethylimino)-5-nitro-1,3-diazinane-2,4-dione
CID 145918468
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
(4S,5S)-1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936429

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?
The IUPAC name of 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide (CID 73282370) is 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide.
What is the SMILES notation for 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?
The canonical SMILES for 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide is CN1C(=O)NC(=O)C2C1N=C(CN1CCOCC1)N2CC(N)=O.
What is the InChIKey of 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?
The InChIKey is KIPURSWXMPCQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O4/c1-17-11-10(12(21)16-13(17)22)19(6-8(14)20)9(15-11)7-18-2-4-23-5-3-18/h10-11H,2-7H2,1H3,(H2,14,20)(H,16,21,22).
What are the key properties of 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?
2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide has a molecular weight of 324.34 g/mol, XLogP of -2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide is sourced from PubChem (CID 73282370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).