2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid

C14H19N5O2 — CID 65242733

IUPAC2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid
SMILESCN(c1ncnc2nc[nH]c12)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H19N5O2/c1-19(13-11-12(16-8-15-11)17-9-18-13)14(7-10(20)21)5-3-2-4-6-14/h8-9H,2-7H2,1H3,(H,20,21)(H,15,16,17,18)
InChIKeyLVUCJRJEPYFWRT-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.97
Rot. Bonds4

About 2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid

2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid (PubChem CID 65242733) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid
PubChem CID65242733
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid
SMILESCN(c1ncnc2nc[nH]c12)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H19N5O2/c1-19(13-11-12(16-8-15-11)17-9-18-13)14(7-10(20)21)5-3-2-4-6-14/h8-9H,2-7H2,1H3,(H,20,21)(H,15,16,17,18)
InChIKeyLVUCJRJEPYFWRT-UHFFFAOYSA-N
XLogP1.97
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
1-(7H-purin-6-ylamino)cyclohexane-1-carboxylic acid
CID 61290655
3-[methyl-[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]propanoic acid
CID 119362648
4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid
CID 66237387
2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid
CID 65242738
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 97318615
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-7H-purin-6-amine
CID 133491700
2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid
CID 65243411
N-cyclohexyl-N-ethyl-7H-purin-6-amine
CID 2155059
2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid
CID 65243216
N-[(1S,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733305

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid (CID 65242733) is 2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid is CN(c1ncnc2nc[nH]c12)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid?
The InChIKey is LVUCJRJEPYFWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-19(13-11-12(16-8-15-11)17-9-18-13)14(7-10(20)21)5-3-2-4-6-14/h8-9H,2-7H2,1H3,(H,20,21)(H,15,16,17,18).
What are the key properties of 2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid has a molecular weight of 289.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(7H-purin-6-yl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).