9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine

C17H28N6O — CID 59881601

IUPAC9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine
SMILESCC[C@H]1O[C@@H](n2cnc3c(NC)nc(CCNC)nc32)[C@H](C)[C@@H]1C
InChIInChI=1S/C17H28N6O/c1-6-12-10(2)11(3)17(24-12)23-9-20-14-15(19-5)21-13(7-8-18-4)22-16(14)23/h9-12,17-18H,6-8H2,1-5H3,(H,19,21,22)/t10-,11+,12+,17+/m0/s1
InChIKeyHKYPKVOSTFYYCW-SHFDMQKMSA-N
MW332.45 g/mol
LogP2.21
Rot. Bonds6

About 9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine

9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine (PubChem CID 59881601) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine
PubChem CID59881601
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine
SMILESCC[C@H]1O[C@@H](n2cnc3c(NC)nc(CCNC)nc32)[C@H](C)[C@@H]1C
InChIInChI=1S/C17H28N6O/c1-6-12-10(2)11(3)17(24-12)23-9-20-14-15(19-5)21-13(7-8-18-4)22-16(14)23/h9-12,17-18H,6-8H2,1-5H3,(H,19,21,22)/t10-,11+,12+,17+/m0/s1
InChIKeyHKYPKVOSTFYYCW-SHFDMQKMSA-N
XLogP2.21
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[9-[(3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-6-(methylamino)purin-2-yl]acetonitrile
CID 59881615
2-chloro-9-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-amine
CID 58049084
N,2-dimethyl-9-(3,4,5-trimethyloxolan-2-yl)purin-6-amine
CID 21360641
6-amino-9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]purine-2-diazonium
CID 59575455
9-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1H-purin-6-one
CID 135966732
9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine
CID 145444543
9-[(2R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-6-amine
CID 59637536
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,4S,5R)-2-[2,6-bis(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 121008398
9-(6-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-N-methylpurin-6-amine
CID 20669899
4-amino-1-[(4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-1,3,5-triazin-2-one
CID 59188005

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine?
The IUPAC name of 9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine (CID 59881601) is 9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine.
What is the SMILES notation for 9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine?
The canonical SMILES for 9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine is CC[C@H]1O[C@@H](n2cnc3c(NC)nc(CCNC)nc32)[C@H](C)[C@@H]1C.
What is the InChIKey of 9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine?
The InChIKey is HKYPKVOSTFYYCW-SHFDMQKMSA-N. The full InChI is InChI=1S/C17H28N6O/c1-6-12-10(2)11(3)17(24-12)23-9-20-14-15(19-5)21-13(7-8-18-4)22-16(14)23/h9-12,17-18H,6-8H2,1-5H3,(H,19,21,22)/t10-,11+,12+,17+/m0/s1.
What are the key properties of 9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine?
9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine has a molecular weight of 332.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,3R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-N-methyl-2-[2-(methylamino)ethyl]purin-6-amine is sourced from PubChem (CID 59881601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).