(1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol

C11H17N3O2 — CID 151195468

IUPAC(1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol
SMILESCC[C@@H]1C[C@@H](Nc2ccncn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H17N3O2/c1-2-7-5-8(11(16)10(7)15)14-9-3-4-12-6-13-9/h3-4,6-8,10-11,15-16H,2,5H2,1H3,(H,12,13,14)/t7-,8-,10-,11+/m1/s1
InChIKeyNHFAZLWLWLYPRG-OYBPUVFXSA-N
MW223.28 g/mol
LogP0.41
Rot. Bonds3

About (1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol

(1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol (PubChem CID 151195468) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol
PubChem CID151195468
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol
SMILESCC[C@@H]1C[C@@H](Nc2ccncn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H17N3O2/c1-2-7-5-8(11(16)10(7)15)14-9-3-4-12-6-13-9/h3-4,6-8,10-11,15-16H,2,5H2,1H3,(H,12,13,14)/t7-,8-,10-,11+/m1/s1
InChIKeyNHFAZLWLWLYPRG-OYBPUVFXSA-N
XLogP0.41
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol (CID 151195468) is (1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol is CC[C@@H]1C[C@@H](Nc2ccncn2)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol?
The InChIKey is NHFAZLWLWLYPRG-OYBPUVFXSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-7-5-8(11(16)10(7)15)14-9-3-4-12-6-13-9/h3-4,6-8,10-11,15-16H,2,5H2,1H3,(H,12,13,14)/t7-,8-,10-,11+/m1/s1.
What are the key properties of (1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol?
(1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol has a molecular weight of 223.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-3-ethyl-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol is sourced from PubChem (CID 151195468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).