(1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol

C10H15N3O2 — CID 155663676

IUPAC(1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol
SMILESOC[C@H]1C[C@@H](Nc2ccncn2)C[C@@H]1O
InChIInChI=1S/C10H15N3O2/c14-5-7-3-8(4-9(7)15)13-10-1-2-11-6-12-10/h1-2,6-9,14-15H,3-5H2,(H,11,12,13)/t7-,8-,9+/m1/s1
InChIKeyMUQRZCCJIJQFIZ-HLTSFMKQSA-N
MW209.25 g/mol
LogP0.02
Rot. Bonds3

About (1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol

(1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol (PubChem CID 155663676) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol
PubChem CID155663676
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol
SMILESOC[C@H]1C[C@@H](Nc2ccncn2)C[C@@H]1O
InChIInChI=1S/C10H15N3O2/c14-5-7-3-8(4-9(7)15)13-10-1-2-11-6-12-10/h1-2,6-9,14-15H,3-5H2,(H,11,12,13)/t7-,8-,9+/m1/s1
InChIKeyMUQRZCCJIJQFIZ-HLTSFMKQSA-N
XLogP0.02
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol?
The IUPAC name of (1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol (CID 155663676) is (1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol?
The canonical SMILES for (1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol is OC[C@H]1C[C@@H](Nc2ccncn2)C[C@@H]1O.
What is the InChIKey of (1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol?
The InChIKey is MUQRZCCJIJQFIZ-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-5-7-3-8(4-9(7)15)13-10-1-2-11-6-12-10/h1-2,6-9,14-15H,3-5H2,(H,11,12,13)/t7-,8-,9+/m1/s1.
What are the key properties of (1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol?
(1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol has a molecular weight of 209.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-(hydroxymethyl)-4-(pyrimidin-4-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 155663676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).