4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid

C11H13N5O3 — CID 66237387

IUPAC4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid
SMILESCN(c1ncnc2nc[nH]c12)C1COCC1C(=O)O
InChIInChI=1S/C11H13N5O3/c1-16(7-3-19-2-6(7)11(17)18)10-8-9(13-4-12-8)14-5-15-10/h4-7H,2-3H2,1H3,(H,17,18)(H,12,13,14,15)
InChIKeyCYMAFLBUFXPCFH-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.11
Rot. Bonds3

About 4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid

4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66237387) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid
PubChem CID66237387
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid
SMILESCN(c1ncnc2nc[nH]c12)C1COCC1C(=O)O
InChIInChI=1S/C11H13N5O3/c1-16(7-3-19-2-6(7)11(17)18)10-8-9(13-4-12-8)14-5-15-10/h4-7H,2-3H2,1H3,(H,17,18)(H,12,13,14,15)
InChIKeyCYMAFLBUFXPCFH-UHFFFAOYSA-N
XLogP-0.11
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid
CID 66235767
4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 102686010
N-methyl-N-(oxan-4-yl)-7H-purin-6-amine
CID 155982544
4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66235368
N,N-bis(trimethylsilyl)-7H-purin-6-amine
CID 19910051
4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238171
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine
CID 79119003
4-[(5-cyano-2-pyridinyl)-methylamino]oxolane-3-carboxylic acid
CID 66238193
2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid
CID 65242733
4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid
CID 66237388
1-phenyl-1-(7H-purin-6-yl)urea
CID 19027373
4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid
CID 66236176

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid (CID 66237387) is 4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid is CN(c1ncnc2nc[nH]c12)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is CYMAFLBUFXPCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-16(7-3-19-2-6(7)11(17)18)10-8-9(13-4-12-8)14-5-15-10/h4-7H,2-3H2,1H3,(H,17,18)(H,12,13,14,15).
What are the key properties of 4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid?
4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 263.26 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).