3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol

C17H19N5O — CID 155962940

IUPAC3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(n2cnc3c(NCc4ccccc4)ncnc32)C1
InChIInChI=1S/C17H19N5O/c1-17(23)7-13(8-17)22-11-21-14-15(19-10-20-16(14)22)18-9-12-5-3-2-4-6-12/h2-6,10-11,13,23H,7-9H2,1H3,(H,18,19,20)
InChIKeyQATMSDWHXALWMU-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.52
Rot. Bonds4

About 3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol

3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol (PubChem CID 155962940) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol
PubChem CID155962940
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(n2cnc3c(NCc4ccccc4)ncnc32)C1
InChIInChI=1S/C17H19N5O/c1-17(23)7-13(8-17)22-11-21-14-15(19-10-20-16(14)22)18-9-12-5-3-2-4-6-12/h2-6,10-11,13,23H,7-9H2,1H3,(H,18,19,20)
InChIKeyQATMSDWHXALWMU-UHFFFAOYSA-N
XLogP2.52
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol 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

N-benzyl-9-(oxiran-2-yl)purin-6-amine
CID 174692063
(1S,2R,3R,5S)-3-amino-5-[6-(benzylamino)purin-9-yl]cyclopentane-1,2-diol
CID 110154351
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459
(2R,3S,4R,5R)-2-[6-(benzylamino)purin-9-yl]-3-chloro-5-(hydroxymethyl)oxolane-3,4-diol
CID 175676484
9-[(3aR,4R,6S,6aS)-6-(bromomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-benzylpurin-6-amine
CID 155906148
(1R,2R,4R,5S)-2-[6-(benzylamino)purin-9-yl]-6-methoxy-4-(phenylmethoxymethyl)-3-oxabicyclo[3.1.0]hexane-1,5-diol
CID 67906619
N-benzyl-9-[6-[(4-methylphenyl)methylamino]purin-9-yl]purin-6-amine
CID 66780721
N-benzyl-9-ethenylpurin-6-amine
CID 14035909
2-[(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide
CID 147999168
N-benzyl-9-[(2-methyloxolan-2-yl)methyl]purin-6-amine
CID 170693033
N-benzyl-9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-amine
CID 135015311
N-benzyl-9-cyclopentyl-2-iodopurin-6-amine
CID 6538908

Frequently Asked Questions

What is the IUPAC name of 3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol (CID 155962940) is 3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol is CC1(O)CC(n2cnc3c(NCc4ccccc4)ncnc32)C1.
What is the InChIKey of 3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol?
The InChIKey is QATMSDWHXALWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-17(23)7-13(8-17)22-11-21-14-15(19-10-20-16(14)22)18-9-12-5-3-2-4-6-12/h2-6,10-11,13,23H,7-9H2,1H3,(H,18,19,20).
What are the key properties of 3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol?
3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 155962940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).