5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one

C9H11IN4O2 — CID 136956819

IUPAC5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESO=C1CCC(CNc2nc[nH]c(=O)c2I)N1
InChIInChI=1S/C9H11IN4O2/c10-7-8(12-4-13-9(7)16)11-3-5-1-2-6(15)14-5/h4-5H,1-3H2,(H,14,15)(H2,11,12,13,16)
InChIKeyCRUQYBPCRRTZIF-UHFFFAOYSA-N
MW334.12 g/mol
LogP0.06
Rot. Bonds3

About 5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one

5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956819) has the molecular formula C9H11IN4O2 and a molecular weight of 334.12 g/mol. Its IUPAC name is 5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956819
Molecular FormulaC9H11IN4O2
Molecular Weight334.12 g/mol
Exact Mass333.99
IUPAC Name5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESO=C1CCC(CNc2nc[nH]c(=O)c2I)N1
InChIInChI=1S/C9H11IN4O2/c10-7-8(12-4-13-9(7)16)11-3-5-1-2-6(15)14-5/h4-5H,1-3H2,(H,14,15)(H2,11,12,13,16)
InChIKeyCRUQYBPCRRTZIF-UHFFFAOYSA-N
XLogP0.06
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.12
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679993
5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679997
5-iodo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731506
5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780971
5-iodo-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780978
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136780985
5-iodo-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780993
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136781012
5-iodo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864279
5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880887
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 136954300
4-[(1-ethylpyrrolidin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956010

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136956819) is 5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one is O=C1CCC(CNc2nc[nH]c(=O)c2I)N1.
What is the InChIKey of 5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is CRUQYBPCRRTZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN4O2/c10-7-8(12-4-13-9(7)16)11-3-5-1-2-6(15)14-5/h4-5H,1-3H2,(H,14,15)(H2,11,12,13,16).
What are the key properties of 5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one?
5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 334.12 g/mol, XLogP of 0.06, 3 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-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).