[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol

C14H20N6O — CID 156801983

IUPAC[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol
SMILESNc1nc(NC2CC2)c2ncn([C@H]3CCC(CO)C3)c2n1
InChIInChI=1S/C14H20N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h7-10,21H,1-6H2,(H3,15,17,18,19)/t8?,10-/m0/s1
InChIKeyTYPRESGPNUCUCA-HTLJXXAVSA-N
MW288.35 g/mol
LogP1.32
Rot. Bonds4

About [(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol

[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol (PubChem CID 156801983) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is [(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol
PubChem CID156801983
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol
SMILESNc1nc(NC2CC2)c2ncn([C@H]3CCC(CO)C3)c2n1
InChIInChI=1S/C14H20N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h7-10,21H,1-6H2,(H3,15,17,18,19)/t8?,10-/m0/s1
InChIKeyTYPRESGPNUCUCA-HTLJXXAVSA-N
XLogP1.32
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 54532575
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrate;dihydrobromide
CID 67082550
[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 170455114
(2S,3S,4R,5S)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)thiolan-3-ol
CID 57124457
[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646157
(1S,2R,3R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-(hydroxymethyl)-1-methylcyclopentane-1,2-diol
CID 102392372
[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 56967848
(3R,4S,5R)-2-[2-amino-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874172
[4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1-iodocyclopent-2-en-1-yl]methanol
CID 154544478
4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride
CID 77366835
(2R,3R,4S,5R)-2-[2-amino-6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10571693
[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol
CID 102121593

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol?
The IUPAC name of [(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol (CID 156801983) is [(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol.
What is the SMILES notation for [(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol?
The canonical SMILES for [(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol is Nc1nc(NC2CC2)c2ncn([C@H]3CCC(CO)C3)c2n1.
What is the InChIKey of [(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol?
The InChIKey is TYPRESGPNUCUCA-HTLJXXAVSA-N. The full InChI is InChI=1S/C14H20N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h7-10,21H,1-6H2,(H3,15,17,18,19)/t8?,10-/m0/s1.
What are the key properties of [(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol?
[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol has a molecular weight of 288.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol is sourced from PubChem (CID 156801983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).