3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione

C10H13N5O3 — CID 840608

IUPAC3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(N3CCOCC3)nc21
InChIInChI=1S/C10H13N5O3/c1-14-7-6(8(16)13-10(14)17)11-9(12-7)15-2-4-18-5-3-15/h2-5H2,1H3,(H,11,12)(H,13,16,17)
InChIKeyWISDVJJIZSKFEJ-UHFFFAOYSA-N
MW251.25 g/mol
LogP-1.21
Rot. Bonds1

About 3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione

3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione (PubChem CID 840608) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione.

Molecular Properties

Compound Name3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione
PubChem CID840608
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(N3CCOCC3)nc21
InChIInChI=1S/C10H13N5O3/c1-14-7-6(8(16)13-10(14)17)11-9(12-7)15-2-4-18-5-3-15/h2-5H2,1H3,(H,11,12)(H,13,16,17)
InChIKeyWISDVJJIZSKFEJ-UHFFFAOYSA-N
XLogP-1.21
TPSA96.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-7H-purine-2,6-dione
CID 950535
8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione
CID 167947110
8-(3-but-2-ynylpiperazin-1-yl)-3-methyl-7H-purine-2,6-dione
CID 139980879
3-methyl-8-morpholin-4-yl-7-nonylpurine-2,6-dione
CID 3065137
3-methyl-8-[(3-methyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-7H-purine-2,6-dione
CID 3103863
1-methyl-2,4,6-trioxo-5H-pteridine-7-carboxylic acid
CID 23422189
3-methyl-8-methylsulfanyl-7H-purine-2,6-dione
CID 130009999
7-(3-chloro-2-hydroxypropyl)-3-methyl-8-morpholin-4-ylpurine-2,6-dione
CID 3117112
8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 66485145
8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione
CID 112569040
3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione
CID 82463934
8-(3-chloroprop-1-enyl)-3-methyl-7H-purine-2,6-dione
CID 169478060

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione?
The IUPAC name of 3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione (CID 840608) is 3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione.
What is the SMILES notation for 3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione?
The canonical SMILES for 3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione is Cn1c(=O)[nH]c(=O)c2[nH]c(N3CCOCC3)nc21.
What is the InChIKey of 3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione?
The InChIKey is WISDVJJIZSKFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-14-7-6(8(16)13-10(14)17)11-9(12-7)15-2-4-18-5-3-15/h2-5H2,1H3,(H,11,12)(H,13,16,17).
What are the key properties of 3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione?
3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione has a molecular weight of 251.25 g/mol, XLogP of -1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione is sourced from PubChem (CID 840608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).