5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one

C11H15IN4O2 — CID 136957096

IUPAC5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESO=C(CNc1nc[nH]c(=O)c1I)N1CCCCC1
InChIInChI=1S/C11H15IN4O2/c12-9-10(14-7-15-11(9)18)13-6-8(17)16-4-2-1-3-5-16/h7H,1-6H2,(H2,13,14,15,18)
InChIKeyWTQYXIRQAGQHQH-UHFFFAOYSA-N
MW362.17 g/mol
LogP0.80
Rot. Bonds3

About 5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one

5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957096) has the molecular formula C11H15IN4O2 and a molecular weight of 362.17 g/mol. Its IUPAC name is 5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
PubChem CID136957096
Molecular FormulaC11H15IN4O2
Molecular Weight362.17 g/mol
Exact Mass362.02
IUPAC Name5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESO=C(CNc1nc[nH]c(=O)c1I)N1CCCCC1
InChIInChI=1S/C11H15IN4O2/c12-9-10(14-7-15-11(9)18)13-6-8(17)16-4-2-1-3-5-16/h7H,1-6H2,(H2,13,14,15,18)
InChIKeyWTQYXIRQAGQHQH-UHFFFAOYSA-N
XLogP0.80
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957098
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703826
2-[(3-amino-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113405876
N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136957101
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113255900
1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone
CID 115677839
2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 114600755
1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone
CID 102751793
1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
CID 115765269
1-cyclopropyl-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
CID 112561891
5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879289
5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 137016386

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one (CID 136957096) is 5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one is O=C(CNc1nc[nH]c(=O)c1I)N1CCCCC1.
What is the InChIKey of 5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is WTQYXIRQAGQHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4O2/c12-9-10(14-7-15-11(9)18)13-6-8(17)16-4-2-1-3-5-16/h7H,1-6H2,(H2,13,14,15,18).
What are the key properties of 5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 362.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).