5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one

C10H14IN3O2 — CID 114586415

IUPAC5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC2CCCNC2)c1I
InChIInChI=1S/C10H14IN3O2/c11-8-9(15)13-6-14-10(8)16-5-7-2-1-3-12-4-7/h6-7,12H,1-5H2,(H,13,14,15)
InChIKeyPVCGBIHQZBBAAG-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.75
Rot. Bonds3

About 5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one

5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586415) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586415
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC2CCCNC2)c1I
InChIInChI=1S/C10H14IN3O2/c11-8-9(15)13-6-14-10(8)16-5-7-2-1-3-12-4-7/h6-7,12H,1-5H2,(H,13,14,15)
InChIKeyPVCGBIHQZBBAAG-UHFFFAOYSA-N
XLogP0.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.75
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-4-yloxy-1H-pyrimidin-6-one
CID 114586286
5-iodo-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586352
5-chloro-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586407
4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586408
5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586411
5-bromo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586412
5-amino-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586413
5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586440
5-iodo-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796346
5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821995
5-iodo-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136956244

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one (CID 114586415) is 5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCC2CCCNC2)c1I.
What is the InChIKey of 5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is PVCGBIHQZBBAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c11-8-9(15)13-6-14-10(8)16-5-7-2-1-3-12-4-7/h6-7,12H,1-5H2,(H,13,14,15).
What are the key properties of 5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).