5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one

C10H14IN3O2 — CID 114676284

IUPAC5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
SMILESCN1CCC(Oc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C10H14IN3O2/c1-14-4-2-7(3-5-14)16-10-8(11)9(15)12-6-13-10/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyHTOZPGZUICNCJU-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.85
Rot. Bonds2

About 5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one

5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one (PubChem CID 114676284) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
PubChem CID114676284
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
SMILESCN1CCC(Oc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C10H14IN3O2/c1-14-4-2-7(3-5-14)16-10-8(11)9(15)12-6-13-10/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyHTOZPGZUICNCJU-UHFFFAOYSA-N
XLogP0.85
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one
CID 90740852
5-methyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 90993345
5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102634996
5-amino-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241477
5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241481
4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241487
5-iodo-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939644
4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586279
5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586282
5-iodo-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586286
5-iodo-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586406
5-iodo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 114676270

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one (CID 114676284) is 5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one is CN1CCC(Oc2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The InChIKey is HTOZPGZUICNCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-14-4-2-7(3-5-14)16-10-8(11)9(15)12-6-13-10/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114676284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).