2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one

C9H11IN2O3 — CID 116705765

IUPAC2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)c(I)c(=O)[nH]1)C1CC1
InChIInChI=1S/C9H11IN2O3/c1-15-6(4-2-3-4)7-11-8(13)5(10)9(14)12-7/h4,6H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyAHKUCWQEDOOMEU-UHFFFAOYSA-N
MW322.10 g/mol
LogP1.18
Rot. Bonds3

About 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one

2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 116705765) has the molecular formula C9H11IN2O3 and a molecular weight of 322.10 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID116705765
Molecular FormulaC9H11IN2O3
Molecular Weight322.10 g/mol
Exact Mass321.98
IUPAC Name2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)c(I)c(=O)[nH]1)C1CC1
InChIInChI=1S/C9H11IN2O3/c1-15-6(4-2-3-4)7-11-8(13)5(10)9(14)12-7/h4,6H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyAHKUCWQEDOOMEU-UHFFFAOYSA-N
XLogP1.18
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.10
LogP ≤ 51.18
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

2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286779
4-hydroxy-5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
CID 66286785
4-hydroxy-5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79617594
2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113554612
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 113554616
4-hydroxy-2-(1-methoxybutyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 113554618
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705664
4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705669
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705672
4-hydroxy-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
CID 116705673
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116705676
4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one
CID 116705680

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 116705765) is 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one is COC(c1nc(O)c(I)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is AHKUCWQEDOOMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O3/c1-15-6(4-2-3-4)7-11-8(13)5(10)9(14)12-7/h4,6H,2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 322.10 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 116705765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).