(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol

C8H10IN3O — CID 104843548

IUPAC(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ncc(I)cn2)C1
InChIInChI=1S/C8H10IN3O/c9-6-3-10-8(11-4-6)12-2-1-7(13)5-12/h3-4,7,13H,1-2,5H2/t7-/m1/s1
InChIKeyUSQHUJYZSFZWIW-SSDOTTSWSA-N
MW291.09 g/mol
LogP0.65
Rot. Bonds1

About (3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol

(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol (PubChem CID 104843548) has the molecular formula C8H10IN3O and a molecular weight of 291.09 g/mol. Its IUPAC name is (3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol
PubChem CID104843548
Molecular FormulaC8H10IN3O
Molecular Weight291.09 g/mol
Exact Mass290.99
IUPAC Name(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ncc(I)cn2)C1
InChIInChI=1S/C8H10IN3O/c9-6-3-10-8(11-4-6)12-2-1-7(13)5-12/h3-4,7,13H,1-2,5H2/t7-/m1/s1
InChIKeyUSQHUJYZSFZWIW-SSDOTTSWSA-N
XLogP0.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 66569913
1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine
CID 116648605
2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine
CID 104844112
N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide
CID 141173147
[1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine
CID 114961839
5-iodo-2-(3-phenylpyrrolidin-1-yl)pyrimidine
CID 104843440
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 53415565
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 175895695
1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116648585
1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-ol
CID 58057790
ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 144625422

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol (CID 104843548) is (3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol is O[C@@H]1CCN(c2ncc(I)cn2)C1.
What is the InChIKey of (3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol?
The InChIKey is USQHUJYZSFZWIW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10IN3O/c9-6-3-10-8(11-4-6)12-2-1-7(13)5-12/h3-4,7,13H,1-2,5H2/t7-/m1/s1.
What are the key properties of (3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol?
(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol has a molecular weight of 291.09 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 104843548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).