[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol

C16H24N6O2 — CID 56967848

IUPAC[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
SMILESNc1nc(NC2CCCCC2)c2ncn([C@H]3CC[C@@H](CO)O3)c2n1
InChIInChI=1S/C16H24N6O2/c17-16-20-14(19-10-4-2-1-3-5-10)13-15(21-16)22(9-18-13)12-7-6-11(8-23)24-12/h9-12,23H,1-8H2,(H3,17,19,20,21)/t11-,12+/m0/s1
InChIKeyRLTYCZVLPOTJIE-NWDGAFQWSA-N
MW332.41 g/mol
LogP1.82
Rot. Bonds4

About [(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol

[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol (PubChem CID 56967848) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is [(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
PubChem CID56967848
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
SMILESNc1nc(NC2CCCCC2)c2ncn([C@H]3CC[C@@H](CO)O3)c2n1
InChIInChI=1S/C16H24N6O2/c17-16-20-14(19-10-4-2-1-3-5-10)13-15(21-16)22(9-18-13)12-7-6-11(8-23)24-12/h9-12,23H,1-8H2,(H3,17,19,20,21)/t11-,12+/m0/s1
InChIKeyRLTYCZVLPOTJIE-NWDGAFQWSA-N
XLogP1.82
TPSA111.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol with MolForge

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Related Compounds

9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine
CID 123996190
[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 54592375
(2R,3R,4S,5R)-2-[2-amino-6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10571693
(3R,4S,5R)-2-[2-amino-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874172
[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646157
[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 170455114
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
CID 143654262
acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol
CID 163227421
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 145281051
1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
CID 130402904

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol (CID 56967848) is [(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol is Nc1nc(NC2CCCCC2)c2ncn([C@H]3CC[C@@H](CO)O3)c2n1.
What is the InChIKey of [(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol?
The InChIKey is RLTYCZVLPOTJIE-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H24N6O2/c17-16-20-14(19-10-4-2-1-3-5-10)13-15(21-16)22(9-18-13)12-7-6-11(8-23)24-12/h9-12,23H,1-8H2,(H3,17,19,20,21)/t11-,12+/m0/s1.
What are the key properties of [(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol?
[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol has a molecular weight of 332.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 56967848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).