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

C10H14IN3O2 — CID 136958107

IUPAC4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCC1(O)CCCN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C10H14IN3O2/c1-10(16)3-2-4-14(5-10)8-7(11)9(15)13-6-12-8/h6,16H,2-5H2,1H3,(H,12,13,15)
InChIKeyCAOKSUAKZWWLDB-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.73
Rot. Bonds1

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

4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136958107) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136958107
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCC1(O)CCCN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C10H14IN3O2/c1-10(16)3-2-4-14(5-10)8-7(11)9(15)13-6-12-8/h6,16H,2-5H2,1H3,(H,12,13,15)
InChIKeyCAOKSUAKZWWLDB-UHFFFAOYSA-N
XLogP0.73
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.73
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-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716210
4-(3-hydroxy-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136749167
4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136772452
4-[(3S)-3-hydroxypiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136811797
4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136819392
4-[(2-ethyl-2-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956751
4-[(2-hydroxy-2-methylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956780
4-[(2-hydroxy-2,4-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956904
4-(4-hydroxy-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136958029
5-bromo-4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136958109
4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136958110
4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136979719

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one (CID 136958107) is 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one is CC1(O)CCCN(c2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is CAOKSUAKZWWLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-10(16)3-2-4-14(5-10)8-7(11)9(15)13-6-12-8/h6,16H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136958107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).