[(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol

C14H21N5O4 — CID 54303216

IUPAC[(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol
SMILESCNc1nc(C)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C14H21N5O4/c1-7-17-12(15-2)9-13(18-7)19(6-16-9)14-11(22-4)10(21-3)8(5-20)23-14/h6,8,10-11,14,20H,5H2,1-4H3,(H,15,17,18)/t8-,10-,11-,14-/m1/s1
InChIKeySFRMJOZZFHKHMT-IDTAVKCVSA-N
MW323.35 g/mol
LogP0.10
Rot. Bonds5

About [(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol

[(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol (PubChem CID 54303216) has the molecular formula C14H21N5O4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol
PubChem CID54303216
Molecular FormulaC14H21N5O4
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name[(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol
SMILESCNc1nc(C)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C14H21N5O4/c1-7-17-12(15-2)9-13(18-7)19(6-16-9)14-11(22-4)10(21-3)8(5-20)23-14/h6,8,10-11,14,20H,5H2,1-4H3,(H,15,17,18)/t8-,10-,11-,14-/m1/s1
InChIKeySFRMJOZZFHKHMT-IDTAVKCVSA-N
XLogP0.10
TPSA103.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol?
The IUPAC name of [(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol (CID 54303216) is [(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol is CNc1nc(C)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OC)[C@H]1OC.
What is the InChIKey of [(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol?
The InChIKey is SFRMJOZZFHKHMT-IDTAVKCVSA-N. The full InChI is InChI=1S/C14H21N5O4/c1-7-17-12(15-2)9-13(18-7)19(6-16-9)14-11(22-4)10(21-3)8(5-20)23-14/h6,8,10-11,14,20H,5H2,1-4H3,(H,15,17,18)/t8-,10-,11-,14-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol?
[(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol has a molecular weight of 323.35 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3,4-dimethoxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 54303216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).