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

C10H13IN4O2 — CID 136956744

IUPAC5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CC(Nc2nc[nH]c(=O)c2I)CCC1=O
InChIInChI=1S/C10H13IN4O2/c1-15-4-6(2-3-7(15)16)14-9-8(11)10(17)13-5-12-9/h5-6H,2-4H2,1H3,(H2,12,13,14,17)
InChIKeyCGYOLFAJTHCNRW-UHFFFAOYSA-N
MW348.14 g/mol
LogP0.41
Rot. Bonds2

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

5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956744) has the molecular formula C10H13IN4O2 and a molecular weight of 348.14 g/mol. Its IUPAC name is 5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956744
Molecular FormulaC10H13IN4O2
Molecular Weight348.14 g/mol
Exact Mass348.01
IUPAC Name5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CC(Nc2nc[nH]c(=O)c2I)CCC1=O
InChIInChI=1S/C10H13IN4O2/c1-15-4-6(2-3-7(15)16)14-9-8(11)10(17)13-5-12-9/h5-6H,2-4H2,1H3,(H2,12,13,14,17)
InChIKeyCGYOLFAJTHCNRW-UHFFFAOYSA-N
XLogP0.41
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 50.41
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

5-iodo-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805300
5-iodo-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805324
5-iodo-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842976
4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136873265
5-iodo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136879312
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 136954300
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 136954314
5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136956056
2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 136956221
4-[(1-ethylpiperidin-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956288
5-iodo-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956299
5-iodo-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956380

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136956744) is 5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is CN1CC(Nc2nc[nH]c(=O)c2I)CCC1=O.
What is the InChIKey of 5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is CGYOLFAJTHCNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN4O2/c1-15-4-6(2-3-7(15)16)14-9-8(11)10(17)13-5-12-9/h5-6H,2-4H2,1H3,(H2,12,13,14,17).
What are the key properties of 5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 348.14 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).