4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one

C8H10IN3O3 — CID 136766524

IUPAC4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CC(O)C(O)C2)c1I
InChIInChI=1S/C8H10IN3O3/c9-6-7(10-3-11-8(6)15)12-1-4(13)5(14)2-12/h3-5,13-14H,1-2H2,(H,10,11,15)
InChIKeyUCANWHGWSGDHIK-UHFFFAOYSA-N
MW323.09 g/mol
LogP-1.08
Rot. Bonds1

About 4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one

4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136766524) has the molecular formula C8H10IN3O3 and a molecular weight of 323.09 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136766524
Molecular FormulaC8H10IN3O3
Molecular Weight323.09 g/mol
Exact Mass322.98
IUPAC Name4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CC(O)C(O)C2)c1I
InChIInChI=1S/C8H10IN3O3/c9-6-7(10-3-11-8(6)15)12-1-4(13)5(14)2-12/h3-5,13-14H,1-2H2,(H,10,11,15)
InChIKeyUCANWHGWSGDHIK-UHFFFAOYSA-N
XLogP-1.08
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3S)-3-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136689234
4-[(3R)-3-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136689235
5-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766520
5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766522
5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766523
4-(3,4-dihydroxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136766526
4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766527
5-iodo-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136868273
4-(3,4-dimethoxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136868275
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136869197
5-amino-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900934
5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900935

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one (CID 136766524) is 4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CC(O)C(O)C2)c1I.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is UCANWHGWSGDHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O3/c9-6-7(10-3-11-8(6)15)12-1-4(13)5(14)2-12/h3-5,13-14H,1-2H2,(H,10,11,15).
What are the key properties of 4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 323.09 g/mol, XLogP of -1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136766524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).