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

C10H15N3O3 — CID 150411265

IUPAC(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol
SMILESOC[C@H]1C[C@@H](Nc2ccncn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H15N3O3/c14-4-6-3-7(10(16)9(6)15)13-8-1-2-11-5-12-8/h1-2,5-7,9-10,14-16H,3-4H2,(H,11,12,13)/t6-,7-,9-,10+/m1/s1
InChIKeyHFVHBFCAMPBADX-ZXZZCXTASA-N
MW225.25 g/mol
LogP-1.01
Rot. Bonds3

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

(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol (PubChem CID 150411265) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol
PubChem CID150411265
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol
SMILESOC[C@H]1C[C@@H](Nc2ccncn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H15N3O3/c14-4-6-3-7(10(16)9(6)15)13-8-1-2-11-5-12-8/h1-2,5-7,9-10,14-16H,3-4H2,(H,11,12,13)/t6-,7-,9-,10+/m1/s1
InChIKeyHFVHBFCAMPBADX-ZXZZCXTASA-N
XLogP-1.01
TPSA98.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol (CID 150411265) is (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol is OC[C@H]1C[C@@H](Nc2ccncn2)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol?
The InChIKey is HFVHBFCAMPBADX-ZXZZCXTASA-N. The full InChI is InChI=1S/C10H15N3O3/c14-4-6-3-7(10(16)9(6)15)13-8-1-2-11-5-12-8/h1-2,5-7,9-10,14-16H,3-4H2,(H,11,12,13)/t6-,7-,9-,10+/m1/s1.
What are the key properties of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol?
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol has a molecular weight of 225.25 g/mol, XLogP of -1.01, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol is sourced from PubChem (CID 150411265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).