[3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol

C19H21N5O3 — CID 146137199

IUPAC[3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol
SMILESOCC1(Cn2cnc3c(N4CCC=C(c5ccco5)C4)ncnc32)COC1
InChIInChI=1S/C19H21N5O3/c25-9-19(10-26-11-19)8-24-13-22-16-17(20-12-21-18(16)24)23-5-1-3-14(7-23)15-4-2-6-27-15/h2-4,6,12-13,25H,1,5,7-11H2
InChIKeyYBHMTBBKIIMUKH-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.72
Rot. Bonds5

About [3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol

[3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol (PubChem CID 146137199) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is [3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol
PubChem CID146137199
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name[3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol
SMILESOCC1(Cn2cnc3c(N4CCC=C(c5ccco5)C4)ncnc32)COC1
InChIInChI=1S/C19H21N5O3/c25-9-19(10-26-11-19)8-24-13-22-16-17(20-12-21-18(16)24)23-5-1-3-14(7-23)15-4-2-6-27-15/h2-4,6,12-13,25H,1,5,7-11H2
InChIKeyYBHMTBBKIIMUKH-UHFFFAOYSA-N
XLogP1.72
TPSA89.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol 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

1,1-difluoro-3-[6-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)purin-9-yl]propan-2-ol
CID 166322763
2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol
CID 167988704
9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
[5-(hydroxymethyl)-3-[(6-piperidin-1-ylpurin-9-yl)methyl]-4,5-dihydro-1,2-oxazol-4-yl]methanol
CID 132582744
[1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol
CID 125420591
(2R)-1-(4-fluorophenoxy)-3-(6-morpholin-4-ylpurin-9-yl)propan-2-ol
CID 97213742
[3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol
CID 165482251
9-(cyclopropylmethyl)-6-piperidin-1-ylpurine
CID 10634902
1-[9-[2-(hydroxymethyl)-3-methoxy-2-methylpropyl]purin-6-yl]-3-phenylazetidin-3-ol
CID 167791768
9-(4-bromobutyl)-N-(furan-2-ylmethyl)purin-6-amine
CID 53237267
1-(3-methoxyphenyl)-2-(6-pyrrolidin-1-ylpurin-9-yl)ethanol
CID 111795399

Frequently Asked Questions

What is the IUPAC name of [3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol (CID 146137199) is [3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol is OCC1(Cn2cnc3c(N4CCC=C(c5ccco5)C4)ncnc32)COC1.
What is the InChIKey of [3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol?
The InChIKey is YBHMTBBKIIMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-9-19(10-26-11-19)8-24-13-22-16-17(20-12-21-18(16)24)23-5-1-3-14(7-23)15-4-2-6-27-15/h2-4,6,12-13,25H,1,5,7-11H2.
What are the key properties of [3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol?
[3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol has a molecular weight of 367.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-[5-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]purin-9-yl]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 146137199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).