trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol

C10H14N6O2 — CID 73050804

IUPACtrans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
SMILESNc1nc(N)c2ncn(C3C[C@@H](O)[C@H](O)C3)c2n1
InChIInChI=1S/C10H14N6O2/c11-8-7-9(15-10(12)14-8)16(3-13-7)4-1-5(17)6(18)2-4/h3-6,17-18H,1-2H2,(H4,11,12,14,15)/t5-,6-/m1/s1
InChIKeyUVPSXHQATSNKHM-PHDIDXHHSA-N
MW250.26 g/mol
LogP-0.95
Rot. Bonds1

About trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol

trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol (PubChem CID 73050804) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol.

Molecular Properties

Compound Nametrans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
PubChem CID73050804
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Nametrans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
SMILESNc1nc(N)c2ncn(C3C[C@@H](O)[C@H](O)C3)c2n1
InChIInChI=1S/C10H14N6O2/c11-8-7-9(15-10(12)14-8)16(3-13-7)4-1-5(17)6(18)2-4/h3-6,17-18H,1-2H2,(H4,11,12,14,15)/t5-,6-/m1/s1
InChIKeyUVPSXHQATSNKHM-PHDIDXHHSA-N
XLogP-0.95
TPSA136.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol
CID 57488425
9-(thiolan-3-yl)purine-2,6-diamine;dihydrochloride
CID 141031134
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol
CID 21145493
[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640
(1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol
CID 110129701
(3R,5S,7R)-7-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940460
(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 54532575
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-ethyloxolane-3,4-diol
CID 134240596
[(E)-2-[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-hydroxyoxolan-2-yl]ethenyl]phosphonic acid
CID 25152136
(2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-5-(difluoromethylidene)oxolane-3,4-diol
CID 67743891

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol?
The IUPAC name of trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol (CID 73050804) is trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol.
What is the SMILES notation for trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol?
The canonical SMILES for trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol is Nc1nc(N)c2ncn(C3C[C@@H](O)[C@H](O)C3)c2n1.
What is the InChIKey of trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol?
The InChIKey is UVPSXHQATSNKHM-PHDIDXHHSA-N. The full InChI is InChI=1S/C10H14N6O2/c11-8-7-9(15-10(12)14-8)16(3-13-7)4-1-5(17)6(18)2-4/h3-6,17-18H,1-2H2,(H4,11,12,14,15)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol?
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol has a molecular weight of 250.26 g/mol, XLogP of -0.95, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol is sourced from PubChem (CID 73050804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).