[1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol

C10H14N6O — CID 117080644

IUPAC[1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol
SMILESNc1nc(N2CCCC2CO)nc2nc[nH]c12
InChIInChI=1S/C10H14N6O/c11-8-7-9(13-5-12-7)15-10(14-8)16-3-1-2-6(16)4-17/h5-6,17H,1-4H2,(H3,11,12,13,14,15)
InChIKeyJTXFUOYVTUQHCB-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.10
Rot. Bonds2

About [1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol

[1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 117080644) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is [1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol
PubChem CID117080644
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name[1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol
SMILESNc1nc(N2CCCC2CO)nc2nc[nH]c12
InChIInChI=1S/C10H14N6O/c11-8-7-9(13-5-12-7)15-10(14-8)16-3-1-2-6(16)4-17/h5-6,17H,1-4H2,(H3,11,12,13,14,15)
InChIKeyJTXFUOYVTUQHCB-UHFFFAOYSA-N
XLogP-0.10
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 58758764
[(2R)-1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 59835024
[1-[6-[(1-benzylpiperidin-4-yl)amino]-7H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 117094465
1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663911
2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine
CID 167752337
[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
CID 116797534
2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
CID 117079664
[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794344
[(2S)-5-(6-amino-7H-purin-2-yl)oxolan-2-yl]methanol
CID 67674547
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 167808639
[1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]methanol
CID 80794266
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 155975322

Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol (CID 117080644) is [1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol is Nc1nc(N2CCCC2CO)nc2nc[nH]c12.
What is the InChIKey of [1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is JTXFUOYVTUQHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c11-8-7-9(13-5-12-7)15-10(14-8)16-3-1-2-6(16)4-17/h5-6,17H,1-4H2,(H3,11,12,13,14,15).
What are the key properties of [1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol?
[1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 234.26 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117080644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).