(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol

C15H19N7O4 — CID 46902122

IUPAC(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol
SMILESCc1cc(CNC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)no1
InChIInChI=1S/C15H19N7O4/c1-7-2-8(21-26-7)3-17-4-9-11(23)12(24)15(25-9)22-6-20-10-13(16)18-5-19-14(10)22/h2,5-6,9,11-12,15,17,23-24H,3-4H2,1H3,(H2,16,18,19)/t9-,11-,12-,15-/m1/s1
InChIKeySKRPYPCJRFCLLG-SDBHATRESA-N
MW361.36 g/mol
LogP-0.89
Rot. Bonds5

About (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol (PubChem CID 46902122) has the molecular formula C15H19N7O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol
PubChem CID46902122
Molecular FormulaC15H19N7O4
Molecular Weight361.36 g/mol
Exact Mass361.15
IUPAC Name(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol
SMILESCc1cc(CNC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)no1
InChIInChI=1S/C15H19N7O4/c1-7-2-8(21-26-7)3-17-4-9-11(23)12(24)15(25-9)22-6-20-10-13(16)18-5-19-14(10)22/h2,5-6,9,11-12,15,17,23-24H,3-4H2,1H3,(H2,16,18,19)/t9-,11-,12-,15-/m1/s1
InChIKeySKRPYPCJRFCLLG-SDBHATRESA-N
XLogP-0.89
TPSA157.37 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.36
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol with MolForge

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Related Compounds

(3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-(methylamino)propylamino]methyl]oxolane-3,4-diol
CID 46876256
(2R,3S,4R)-2-[(3-aminopropylamino)methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
CID 46876263
ethyl 2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]acetate
CID 71045729
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
2-(6-aminopurin-9-yl)-5-[[[1-(2-methoxyphenyl)triazol-4-yl]methylamino]methyl]oxolane-3,4-diol
CID 134459859
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
methyl 2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]acetate
CID 131858771
6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamoylamino)methyl]oxolan-2-yl]purine
CID 44620962
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(bromomethyl)oxolane-3,4-diol
CID 15024543

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol (CID 46902122) is (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol is Cc1cc(CNC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)no1.
What is the InChIKey of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol?
The InChIKey is SKRPYPCJRFCLLG-SDBHATRESA-N. The full InChI is InChI=1S/C15H19N7O4/c1-7-2-8(21-26-7)3-17-4-9-11(23)12(24)15(25-9)22-6-20-10-13(16)18-5-19-14(10)22/h2,5-6,9,11-12,15,17,23-24H,3-4H2,1H3,(H2,16,18,19)/t9-,11-,12-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol has a molecular weight of 361.36 g/mol, XLogP of -0.89, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 46902122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).