(1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol

C15H22N6O3 — CID 102392372

IUPAC(1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)C[C@H]1n1cnc2c(NC3CC3)nc(N)nc21
InChIInChI=1S/C15H22N6O3/c1-15(24)9(4-7(5-22)11(15)23)21-6-17-10-12(18-8-2-3-8)19-14(16)20-13(10)21/h6-9,11,22-24H,2-5H2,1H3,(H3,16,18,19,20)/t7-,9-,11-,15+/m1/s1
InChIKeyLOMKSDWMEAKAIQ-KMHVAHSPSA-N
MW334.38 g/mol
LogP-0.35
Rot. Bonds4

About (1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol

(1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol (PubChem CID 102392372) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol
PubChem CID102392372
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC Name(1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)C[C@H]1n1cnc2c(NC3CC3)nc(N)nc21
InChIInChI=1S/C15H22N6O3/c1-15(24)9(4-7(5-22)11(15)23)21-6-17-10-12(18-8-2-3-8)19-14(16)20-13(10)21/h6-9,11,22-24H,2-5H2,1H3,(H3,16,18,19,20)/t7-,9-,11-,15+/m1/s1
InChIKeyLOMKSDWMEAKAIQ-KMHVAHSPSA-N
XLogP-0.35
TPSA142.34 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 54532575
[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 170455114
[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol
CID 156801983
(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 134165909
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrate;dihydrobromide
CID 67082550
[(2R,4R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-methyl-oxophosphanium
CID 154993376
(3R,4S,5R)-2-[2-amino-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874172
(2S,3S,4R,5S)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)thiolan-3-ol
CID 57124457
(2R,3R,4S,5R)-2-[2-amino-6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10571693
[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646157
[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 56967848
sodium [(2R,4S,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methyl hydrogen phosphate
CID 169425948

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol (CID 102392372) is (1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol is C[C@@]1(O)[C@H](O)[C@@H](CO)C[C@H]1n1cnc2c(NC3CC3)nc(N)nc21.
What is the InChIKey of (1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol?
The InChIKey is LOMKSDWMEAKAIQ-KMHVAHSPSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-15(24)9(4-7(5-22)11(15)23)21-6-17-10-12(18-8-2-3-8)19-14(16)20-13(10)21/h6-9,11,22-24H,2-5H2,1H3,(H3,16,18,19,20)/t7-,9-,11-,15+/m1/s1.
What are the key properties of (1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol?
(1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol has a molecular weight of 334.38 g/mol, XLogP of -0.35, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol is sourced from PubChem (CID 102392372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).