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

C10H14IN3O2 — CID 136979719

IUPAC4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCCCC1(O)CN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C10H14IN3O2/c1-2-3-10(16)4-14(5-10)8-7(11)9(15)13-6-12-8/h6,16H,2-5H2,1H3,(H,12,13,15)
InChIKeyZDRGHEIQOVICOE-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.73
Rot. Bonds3

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

4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136979719) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136979719
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCCCC1(O)CN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C10H14IN3O2/c1-2-3-10(16)4-14(5-10)8-7(11)9(15)13-6-12-8/h6,16H,2-5H2,1H3,(H,12,13,15)
InChIKeyZDRGHEIQOVICOE-UHFFFAOYSA-N
XLogP0.73
TPSA69.22 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 ≤ 50.73
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-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696648
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-[(1-hydroxycyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956795
4-[(2-hydroxy-2,4-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956904
4-[(2-hydroxy-2-methylpropyl)-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136957981
4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136958107
4-(3-hydroxy-3-methylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136979699
4-(3-ethyl-3-hydroxyazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136979709
4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one
CID 136979714
5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one
CID 136979721

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one (CID 136979719) is 4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one is CCCC1(O)CN(c2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is ZDRGHEIQOVICOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-2-3-10(16)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-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136979719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).