5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one

C9H12IN3O — CID 136957378

IUPAC5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCCCC2)c1I
InChIInChI=1S/C9H12IN3O/c10-7-8(11-6-12-9(7)14)13-4-2-1-3-5-13/h6H,1-5H2,(H,11,12,14)
InChIKeyBXBJAXIBTQIIRJ-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.36
Rot. Bonds1

About 5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one

5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 136957378) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID136957378
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCCCC2)c1I
InChIInChI=1S/C9H12IN3O/c10-7-8(11-6-12-9(7)14)13-4-2-1-3-5-13/h6H,1-5H2,(H,11,12,14)
InChIKeyBXBJAXIBTQIIRJ-UHFFFAOYSA-N
XLogP1.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
5-fluoro-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136487790
5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957963
5-iodo-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137015676
6-(4-Fluoropiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 164648869
5-methyl-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 173527972
4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 66286993
5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 66314512
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136726430
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755772

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one (CID 136957378) is 5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCCCC2)c1I.
What is the InChIKey of 5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is BXBJAXIBTQIIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c10-7-8(11-6-12-9(7)14)13-4-2-1-3-5-13/h6H,1-5H2,(H,11,12,14).
What are the key properties of 5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one?
5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 305.12 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).