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

C9H11IN4O2 — CID 136956637

IUPAC5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1CCC(Nc2nc[nH]c(=O)c2I)CN1
InChIInChI=1S/C9H11IN4O2/c10-7-8(12-4-13-9(7)16)14-5-1-2-6(15)11-3-5/h4-5H,1-3H2,(H,11,15)(H2,12,13,14,16)
InChIKeyFEIXDXMIVVBHCT-UHFFFAOYSA-N
MW334.12 g/mol
LogP0.06
Rot. Bonds2

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

5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956637) has the molecular formula C9H11IN4O2 and a molecular weight of 334.12 g/mol. Its IUPAC name is 5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956637
Molecular FormulaC9H11IN4O2
Molecular Weight334.12 g/mol
Exact Mass333.99
IUPAC Name5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1CCC(Nc2nc[nH]c(=O)c2I)CN1
InChIInChI=1S/C9H11IN4O2/c10-7-8(12-4-13-9(7)16)14-5-1-2-6(15)11-3-5/h4-5H,1-3H2,(H,11,15)(H2,12,13,14,16)
InChIKeyFEIXDXMIVVBHCT-UHFFFAOYSA-N
XLogP0.06
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
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'}

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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
4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136873265
5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880887
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
5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956537
5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956539
4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956540
2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956638

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136956637) is 5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is O=C1CCC(Nc2nc[nH]c(=O)c2I)CN1.
What is the InChIKey of 5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is FEIXDXMIVVBHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN4O2/c10-7-8(12-4-13-9(7)16)14-5-1-2-6(15)11-3-5/h4-5H,1-3H2,(H,11,15)(H2,12,13,14,16).
What are the key properties of 5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 334.12 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).