methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol

C15H24N4O3 — CID 160881983

IUPACmethane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol
SMILESC.CCCc1nc(C)c2ncn([C@@H]3O[C@H](C)C(O)[C@@H]3O)c2n1
InChIInChI=1S/C14H20N4O3.CH4/c1-4-5-9-16-7(2)10-13(17-9)18(6-15-10)14-12(20)11(19)8(3)21-14;/h6,8,11-12,14,19-20H,4-5H2,1-3H3;1H4/t8-,11?,12+,14-;/m1./s1
InChIKeySNDQLLUUYDPSIL-FKUOONBXSA-N
MW308.38 g/mol
LogP1.36
Rot. Bonds3

About methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol

methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol (PubChem CID 160881983) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol.

Molecular Properties

Compound Namemethane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol
PubChem CID160881983
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Namemethane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol
SMILESC.CCCc1nc(C)c2ncn([C@@H]3O[C@H](C)C(O)[C@@H]3O)c2n1
InChIInChI=1S/C14H20N4O3.CH4/c1-4-5-9-16-7(2)10-13(17-9)18(6-15-10)14-12(20)11(19)8(3)21-14;/h6,8,11-12,14,19-20H,4-5H2,1-3H3;1H4/t8-,11?,12+,14-;/m1./s1
InChIKeySNDQLLUUYDPSIL-FKUOONBXSA-N
XLogP1.36
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol 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

(2R,3R,4S,5S,6R)-2-methyl-6-(6-methylpurin-9-yl)oxane-3,4,5-triol
CID 46181794
(2R,4R,5R)-2-(2-iodo-6-methylpurin-9-yl)-5-methyloxolane-3,4-diol;(2R,3R,5R)-2-methyl-5-(6-methyl-2-prop-1-ynylpurin-9-yl)oxolane-3,4-diol
CID 158084071
(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 10039594
(2R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 87672546
(3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 134235464
(2R,3R,4S,5R)-2-[2-(dimethylamino)-6-methylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 70539437
6-amino-9-[(3R,4S)-3,4-dihydroxy-5-methyloxolan-2-yl]-1H-purine-2-thione
CID 142449233
N-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-(methylamino)purin-2-yl]methyl]-N-methylacetamide
CID 59094497
N-[[9-(3,4-dihydroxy-5-methyloxolan-2-yl)-6-(methylamino)purin-2-yl]methyl]-N-methylacetamide
CID 21360642
(2R,3R,4R,5R,6S)-2-[2,6-bis(trifluoromethyl)purin-9-yl]-6-methyloxane-3,4,5-triol
CID 53243534
(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
CID 676784
(3S,4R,5S)-2-(6-amino-2-hexylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 70812240

Frequently Asked Questions

What is the IUPAC name of methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol?
The IUPAC name of methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol (CID 160881983) is methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol.
What is the SMILES notation for methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol?
The canonical SMILES for methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol is C.CCCc1nc(C)c2ncn([C@@H]3O[C@H](C)C(O)[C@@H]3O)c2n1.
What is the InChIKey of methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol?
The InChIKey is SNDQLLUUYDPSIL-FKUOONBXSA-N. The full InChI is InChI=1S/C14H20N4O3.CH4/c1-4-5-9-16-7(2)10-13(17-9)18(6-15-10)14-12(20)11(19)8(3)21-14;/h6,8,11-12,14,19-20H,4-5H2,1-3H3;1H4/t8-,11?,12+,14-;/m1./s1.
What are the key properties of methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol?
methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol has a molecular weight of 308.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2R,4S,5R)-2-methyl-5-(6-methyl-2-propylpurin-9-yl)oxolane-3,4-diol is sourced from PubChem (CID 160881983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).