8-(oxolan-2-ylmethyl)-7H-purine

C10H12N4O — CID 114402512

IUPAC8-(oxolan-2-ylmethyl)-7H-purine
SMILESc1ncc2[nH]c(CC3CCCO3)nc2n1
InChIInChI=1S/C10H12N4O/c1-2-7(15-3-1)4-9-13-8-5-11-6-12-10(8)14-9/h5-7H,1-4H2,(H,11,12,13,14)
InChIKeyFKNUWUPPODJRBT-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.07
Rot. Bonds2

About 8-(oxolan-2-ylmethyl)-7H-purine

8-(oxolan-2-ylmethyl)-7H-purine (PubChem CID 114402512) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 8-(oxolan-2-ylmethyl)-7H-purine.

Molecular Properties

Compound Name8-(oxolan-2-ylmethyl)-7H-purine
PubChem CID114402512
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name8-(oxolan-2-ylmethyl)-7H-purine
SMILESc1ncc2[nH]c(CC3CCCO3)nc2n1
InChIInChI=1S/C10H12N4O/c1-2-7(15-3-1)4-9-13-8-5-11-6-12-10(8)14-9/h5-7H,1-4H2,(H,11,12,13,14)
InChIKeyFKNUWUPPODJRBT-UHFFFAOYSA-N
XLogP1.07
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethyl)-1H-benzimidazol-4-amine
CID 65155676
2-[[(2S)-oxolan-2-yl]methyl]-7H-purine
CID 175976285
2-(7H-purin-8-yl)acetaldehyde
CID 54084471
2-(7H-purin-8-yl)ethanamine
CID 83671812
N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 56793498
N-cyclopentyl-7H-purin-8-amine
CID 18381420
8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine
CID 139712164
8-(ethoxymethyl)-7H-purine
CID 114402549
5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 113360918
5-chloro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 105369246
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
3-(7H-purin-8-yl)propanoic acid
CID 83671901

Frequently Asked Questions

What is the IUPAC name of 8-(oxolan-2-ylmethyl)-7H-purine?
The IUPAC name of 8-(oxolan-2-ylmethyl)-7H-purine (CID 114402512) is 8-(oxolan-2-ylmethyl)-7H-purine.
What is the SMILES notation for 8-(oxolan-2-ylmethyl)-7H-purine?
The canonical SMILES for 8-(oxolan-2-ylmethyl)-7H-purine is c1ncc2[nH]c(CC3CCCO3)nc2n1.
What is the InChIKey of 8-(oxolan-2-ylmethyl)-7H-purine?
The InChIKey is FKNUWUPPODJRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-7(15-3-1)4-9-13-8-5-11-6-12-10(8)14-9/h5-7H,1-4H2,(H,11,12,13,14).
What are the key properties of 8-(oxolan-2-ylmethyl)-7H-purine?
8-(oxolan-2-ylmethyl)-7H-purine has a molecular weight of 204.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxolan-2-ylmethyl)-7H-purine is sourced from PubChem (CID 114402512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).