5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one

C10H14IN3O2 — CID 102954540

IUPAC5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
SMILESCC1CCNCC1Oc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O2/c1-6-2-3-12-4-7(6)16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyQRGZUHPPXSAQTH-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.75
Rot. Bonds2

About 5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one

5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one (PubChem CID 102954540) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
PubChem CID102954540
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
SMILESCC1CCNCC1Oc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O2/c1-6-2-3-12-4-7(6)16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyQRGZUHPPXSAQTH-UHFFFAOYSA-N
XLogP0.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954541
4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954690
5-bromo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954732
5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954771
4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939637
5-methoxy-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939640
5-iodo-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939644
5-methoxy-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604875
5-methoxy-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 113756936
5-iodo-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586286
5-methoxy-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586348
5-iodo-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586352

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one (CID 102954540) is 5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one is CC1CCNCC1Oc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The InChIKey is QRGZUHPPXSAQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-6-2-3-12-4-7(6)16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 102954540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).