5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

C8H9IN4O2 — CID 136679997

IUPAC5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1CC(Nc2nc[nH]c(=O)c2I)CN1
InChIInChI=1S/C8H9IN4O2/c9-6-7(11-3-12-8(6)15)13-4-1-5(14)10-2-4/h3-4H,1-2H2,(H,10,14)(H2,11,12,13,15)
InChIKeyOOFMTMBCYHBRLZ-UHFFFAOYSA-N
MW320.09 g/mol
LogP-0.33
Rot. Bonds2

About 5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136679997) has the molecular formula C8H9IN4O2 and a molecular weight of 320.09 g/mol. Its IUPAC name is 5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136679997
Molecular FormulaC8H9IN4O2
Molecular Weight320.09 g/mol
Exact Mass319.98
IUPAC Name5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1CC(Nc2nc[nH]c(=O)c2I)CN1
InChIInChI=1S/C8H9IN4O2/c9-6-7(11-3-12-8(6)15)13-4-1-5(14)10-2-4/h3-4H,1-2H2,(H,10,14)(H2,11,12,13,15)
InChIKeyOOFMTMBCYHBRLZ-UHFFFAOYSA-N
XLogP-0.33
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.09
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679991
5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679993
5-chloro-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679995
4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679999
5-bromo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136680000
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136689236
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794230
5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864277
5-iodo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864279
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864282
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 136954307
N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136956234

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136679997) is 5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is O=C1CC(Nc2nc[nH]c(=O)c2I)CN1.
What is the InChIKey of 5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is OOFMTMBCYHBRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN4O2/c9-6-7(11-3-12-8(6)15)13-4-1-5(14)10-2-4/h3-4H,1-2H2,(H,10,14)(H2,11,12,13,15).
What are the key properties of 5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 320.09 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136679997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).