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

C10H13IN2O3 — CID 104609921

IUPAC4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(I)c(=O)[nH]2)CCCC1
InChIInChI=1S/C10H13IN2O3/c1-16-10(4-2-3-5-10)9-12-7(14)6(11)8(15)13-9/h2-5H2,1H3,(H2,12,13,14,15)
InChIKeyXOBVCDISTLQALS-UHFFFAOYSA-N
MW336.13 g/mol
LogP1.50
Rot. Bonds2

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

4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (PubChem CID 104609921) has the molecular formula C10H13IN2O3 and a molecular weight of 336.13 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
PubChem CID104609921
Molecular FormulaC10H13IN2O3
Molecular Weight336.13 g/mol
Exact Mass336.00
IUPAC Name4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(I)c(=O)[nH]2)CCCC1
InChIInChI=1S/C10H13IN2O3/c1-16-10(4-2-3-5-10)9-12-7(14)6(11)8(15)13-9/h2-5H2,1H3,(H2,12,13,14,15)
InChIKeyXOBVCDISTLQALS-UHFFFAOYSA-N
XLogP1.50
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 51.50
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-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-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one
CID 104609914
5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609915
4-hydroxy-2-(1-methoxycyclopentyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 104609916
5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609920
5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609934
4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one
CID 113432633
2-(1-ethoxycyclopentyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113559542
5-bromo-2-(1-ethoxycyclopentyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559550
4-hydroxy-5-iodo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705758

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (CID 104609921) is 4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is COC1(c2nc(O)c(I)c(=O)[nH]2)CCCC1.
What is the InChIKey of 4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is XOBVCDISTLQALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O3/c1-16-10(4-2-3-5-10)9-12-7(14)6(11)8(15)13-9/h2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 336.13 g/mol, XLogP of 1.50, 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-methoxycyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 104609921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).