4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one

C9H11IN2O3 — CID 116705758

IUPAC4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(I)c(=O)[nH]2)CCC1
InChIInChI=1S/C9H11IN2O3/c1-15-9(3-2-4-9)8-11-6(13)5(10)7(14)12-8/h2-4H2,1H3,(H2,11,12,13,14)
InChIKeyJAIIBDFGUZKMQD-UHFFFAOYSA-N
MW322.10 g/mol
LogP1.11
Rot. Bonds2

About 4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (PubChem CID 116705758) has the molecular formula C9H11IN2O3 and a molecular weight of 322.10 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
PubChem CID116705758
Molecular FormulaC9H11IN2O3
Molecular Weight322.10 g/mol
Exact Mass321.98
IUPAC Name4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(I)c(=O)[nH]2)CCC1
InChIInChI=1S/C9H11IN2O3/c1-15-9(3-2-4-9)8-11-6(13)5(10)7(14)12-8/h2-4H2,1H3,(H2,11,12,13,14)
InChIKeyJAIIBDFGUZKMQD-UHFFFAOYSA-N
XLogP1.11
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.10
LogP ≤ 51.11
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

4-hydroxy-5-iodo-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79201860
4-hydroxy-5-iodo-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166555
4-hydroxy-5-iodo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80689850
4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609921
4-hydroxy-2-(1-methoxycyclobutyl)-5-propyl-1H-pyrimidin-6-one
CID 113554614
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665
4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one
CID 116705677
5-ethyl-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705687
4-hydroxy-2-(1-methoxycyclobutyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 116705706
5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705746
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116705757
2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116705760

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (CID 116705758) is 4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is COC1(c2nc(O)c(I)c(=O)[nH]2)CCC1.
What is the InChIKey of 4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The InChIKey is JAIIBDFGUZKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O3/c1-15-9(3-2-4-9)8-11-6(13)5(10)7(14)12-8/h2-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one has a molecular weight of 322.10 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).