1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol

C10H14N6O — CID 104623816

IUPAC1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2nc(N)nc3nc[nH]c23)C1
InChIInChI=1S/C10H14N6O/c1-10(17)2-3-16(4-10)8-6-7(13-5-12-6)14-9(11)15-8/h5,17H,2-4H2,1H3,(H3,11,12,13,14,15)
InChIKeyCLWLOBGZZNDCNB-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.10
Rot. Bonds1

About 1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol

1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol (PubChem CID 104623816) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
PubChem CID104623816
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2nc(N)nc3nc[nH]c23)C1
InChIInChI=1S/C10H14N6O/c1-10(17)2-3-16(4-10)8-6-7(13-5-12-6)14-9(11)15-8/h5,17H,2-4H2,1H3,(H3,11,12,13,14,15)
InChIKeyCLWLOBGZZNDCNB-UHFFFAOYSA-N
XLogP-0.10
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
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

3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol
CID 103358836
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine
CID 97274714
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine
CID 177211825
1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
CID 114749498
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114785656
1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 166212074
1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70763853

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol (CID 104623816) is 1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(c2nc(N)nc3nc[nH]c23)C1.
What is the InChIKey of 1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol?
The InChIKey is CLWLOBGZZNDCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-10(17)2-3-16(4-10)8-6-7(13-5-12-6)14-9(11)15-8/h5,17H,2-4H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol?
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol has a molecular weight of 234.26 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 104623816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).