trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol

C10H13N5O — CID 136679568

IUPACtrans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol
SMILES[H]/N=c1\ncn([C@@H]2CC[C@@H](O)C2)c2nc[nH]c12
InChIInChI=1S/C10H13N5O/c11-9-8-10(13-4-12-8)15(5-14-9)6-1-2-7(16)3-6/h4-7,11,16H,1-3H2,(H,12,13)/b11-9-/t6-,7-/m1/s1
InChIKeyAISMQXINEADVJE-KARNKZGOSA-N
MW219.25 g/mol
LogP0.32
Rot. Bonds1

About trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol

trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol (PubChem CID 136679568) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol
PubChem CID136679568
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Nametrans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol
SMILES[H]/N=c1\ncn([C@@H]2CC[C@@H](O)C2)c2nc[nH]c12
InChIInChI=1S/C10H13N5O/c11-9-8-10(13-4-12-8)15(5-14-9)6-1-2-7(16)3-6/h4-7,11,16H,1-3H2,(H,12,13)/b11-9-/t6-,7-/m1/s1
InChIKeyAISMQXINEADVJE-KARNKZGOSA-N
XLogP0.32
TPSA90.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol (CID 136679568) is trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol is [H]/N=c1\ncn([C@@H]2CC[C@@H](O)C2)c2nc[nH]c12.
What is the InChIKey of trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol?
The InChIKey is AISMQXINEADVJE-KARNKZGOSA-N. The full InChI is InChI=1S/C10H13N5O/c11-9-8-10(13-4-12-8)15(5-14-9)6-1-2-7(16)3-6/h4-7,11,16H,1-3H2,(H,12,13)/b11-9-/t6-,7-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol?
trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol has a molecular weight of 219.25 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(6-imino-7H-purin-3-yl)cyclopentan-1-ol is sourced from PubChem (CID 136679568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).