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

C8H10IN3O2 — CID 136957758

IUPAC4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(O)C2)c1I
InChIInChI=1S/C8H10IN3O2/c9-6-7(10-4-11-8(6)14)12-2-1-5(13)3-12/h4-5,13H,1-3H2,(H,10,11,14)
InChIKeyKZSMCNFMECBPKZ-UHFFFAOYSA-N
MW307.09 g/mol
LogP-0.05
Rot. Bonds1

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

4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957758) has the molecular formula C8H10IN3O2 and a molecular weight of 307.09 g/mol. Its IUPAC name is 4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136957758
Molecular FormulaC8H10IN3O2
Molecular Weight307.09 g/mol
Exact Mass306.98
IUPAC Name4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(O)C2)c1I
InChIInChI=1S/C8H10IN3O2/c9-6-7(10-4-11-8(6)14)12-2-1-5(13)3-12/h4-5,13H,1-3H2,(H,10,11,14)
InChIKeyKZSMCNFMECBPKZ-UHFFFAOYSA-N
XLogP-0.05
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one (CID 136957758) is 4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCC(O)C2)c1I.
What is the InChIKey of 4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is KZSMCNFMECBPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O2/c9-6-7(10-4-11-8(6)14)12-2-1-5(13)3-12/h4-5,13H,1-3H2,(H,10,11,14).
What are the key properties of 4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 307.09 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).