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

C14H15N5O2 — CID 58758764

IUPAC[1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(-c2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C14H15N5O2/c20-7-9-3-1-5-19(9)14-17-11(10-4-2-6-21-10)12-13(18-14)16-8-15-12/h2,4,6,8-9,20H,1,3,5,7H2,(H,15,16,17,18)
InChIKeyXDKHXKXEVNAPBG-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.57
Rot. Bonds3

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

[1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 58758764) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is [1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID58758764
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name[1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(-c2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C14H15N5O2/c20-7-9-3-1-5-19(9)14-17-11(10-4-2-6-21-10)12-13(18-14)16-8-15-12/h2,4,6,8-9,20H,1,3,5,7H2,(H,15,16,17,18)
InChIKeyXDKHXKXEVNAPBG-UHFFFAOYSA-N
XLogP1.57
TPSA91.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 59835024
[1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol
CID 117080644
[1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 68741430
[1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279211
[1-[6-[(1-benzylpiperidin-4-yl)amino]-7H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 117094465
O-[6-(furan-2-yl)-7H-purin-2-yl] methanethioate
CID 87502540
[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
CID 116797534
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 167808639
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
[2-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol
CID 117155008
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 155975322
3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol
CID 114784987

Frequently Asked Questions

What is the IUPAC name of [1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol (CID 58758764) is [1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1nc(-c2ccco2)c2[nH]cnc2n1.
What is the InChIKey of [1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is XDKHXKXEVNAPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-7-9-3-1-5-19(9)14-17-11(10-4-2-6-21-10)12-13(18-14)16-8-15-12/h2,4,6,8-9,20H,1,3,5,7H2,(H,15,16,17,18).
What are the key properties of [1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol?
[1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 285.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 58758764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).