5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

C9H11IN4O2 — CID 136956537

IUPAC5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1NCCCC1Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H11IN4O2/c10-6-7(12-4-13-9(6)16)14-5-2-1-3-11-8(5)15/h4-5H,1-3H2,(H,11,15)(H2,12,13,14,16)
InChIKeyFQPJZJGIVGXGGZ-UHFFFAOYSA-N
MW334.12 g/mol
LogP0.06
Rot. Bonds2

About 5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956537) has the molecular formula C9H11IN4O2 and a molecular weight of 334.12 g/mol. Its IUPAC name is 5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956537
Molecular FormulaC9H11IN4O2
Molecular Weight334.12 g/mol
Exact Mass333.99
IUPAC Name5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESO=C1NCCCC1Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H11IN4O2/c10-6-7(12-4-13-9(6)16)14-5-2-1-3-11-8(5)15/h4-5H,1-3H2,(H,11,15)(H2,12,13,14,16)
InChIKeyFQPJZJGIVGXGGZ-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

(2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
CID 170132858
4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136873265
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 136954300
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
N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136956511
2-methyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956538
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
5-iodo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956637
5-bromo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956639

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136956537) is 5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is O=C1NCCCC1Nc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is FQPJZJGIVGXGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN4O2/c10-6-7(12-4-13-9(6)16)14-5-2-1-3-11-8(5)15/h4-5H,1-3H2,(H,11,15)(H2,12,13,14,16).
What are the key properties of 5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[(2-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-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).