2-[[(2S)-oxolan-2-yl]methyl]-7H-purine

C10H12N4O — CID 175976285

IUPAC2-[[(2S)-oxolan-2-yl]methyl]-7H-purine
SMILESc1nc2nc(C[C@@H]3CCCO3)ncc2[nH]1
InChIInChI=1S/C10H12N4O/c1-2-7(15-3-1)4-9-11-5-8-10(14-9)13-6-12-8/h5-7H,1-4H2,(H,11,12,13,14)/t7-/m0/s1
InChIKeyDSTAFPLNXCSAPD-ZETCQYMHSA-N
MW204.23 g/mol
LogP1.07
Rot. Bonds2

About 2-[[(2S)-oxolan-2-yl]methyl]-7H-purine

2-[[(2S)-oxolan-2-yl]methyl]-7H-purine (PubChem CID 175976285) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[[(2S)-oxolan-2-yl]methyl]-7H-purine.

Molecular Properties

Compound Name2-[[(2S)-oxolan-2-yl]methyl]-7H-purine
PubChem CID175976285
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-[[(2S)-oxolan-2-yl]methyl]-7H-purine
SMILESc1nc2nc(C[C@@H]3CCCO3)ncc2[nH]1
InChIInChI=1S/C10H12N4O/c1-2-7(15-3-1)4-9-11-5-8-10(14-9)13-6-12-8/h5-7H,1-4H2,(H,11,12,13,14)/t7-/m0/s1
InChIKeyDSTAFPLNXCSAPD-ZETCQYMHSA-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

Analyze 2-[[(2S)-oxolan-2-yl]methyl]-7H-purine 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

2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
8-(oxolan-2-ylmethyl)-7H-purine
CID 114402512
5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 165447270
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008084
5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 106512153
2-(oxan-2-ylmethyl)quinazoline
CID 123458550
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114207086
1-[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-2-amine
CID 62756821
N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756957
2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385419
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61265926

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxolan-2-yl]methyl]-7H-purine?
The IUPAC name of 2-[[(2S)-oxolan-2-yl]methyl]-7H-purine (CID 175976285) is 2-[[(2S)-oxolan-2-yl]methyl]-7H-purine.
What is the SMILES notation for 2-[[(2S)-oxolan-2-yl]methyl]-7H-purine?
The canonical SMILES for 2-[[(2S)-oxolan-2-yl]methyl]-7H-purine is c1nc2nc(C[C@@H]3CCCO3)ncc2[nH]1.
What is the InChIKey of 2-[[(2S)-oxolan-2-yl]methyl]-7H-purine?
The InChIKey is DSTAFPLNXCSAPD-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-7(15-3-1)4-9-11-5-8-10(14-9)13-6-12-8/h5-7H,1-4H2,(H,11,12,13,14)/t7-/m0/s1.
What are the key properties of 2-[[(2S)-oxolan-2-yl]methyl]-7H-purine?
2-[[(2S)-oxolan-2-yl]methyl]-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 2-[[(2S)-oxolan-2-yl]methyl]-7H-purine is sourced from PubChem (CID 175976285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).