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

C9H11IN2O2 — CID 116705926

IUPAC2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
SMILESCOC(c1ncc(I)c(=O)[nH]1)C1CC1
InChIInChI=1S/C9H11IN2O2/c1-14-7(5-2-3-5)8-11-4-6(10)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13)
InChIKeyJARMBSSMAPEDNT-UHFFFAOYSA-N
MW306.10 g/mol
LogP1.47
Rot. Bonds3

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

2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 116705926) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
PubChem CID116705926
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Name2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
SMILESCOC(c1ncc(I)c(=O)[nH]1)C1CC1
InChIInChI=1S/C9H11IN2O2/c1-14-7(5-2-3-5)8-11-4-6(10)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13)
InChIKeyJARMBSSMAPEDNT-UHFFFAOYSA-N
XLogP1.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 66314923
2-(1-ethoxyethyl)-5-iodo-1H-pyrimidin-6-one
CID 66316168
5-iodo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
CID 66316586
5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79616630
5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82837975
2-[cyclopropyl(ethoxy)methyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206254
2-[cyclopropyl(methoxy)methyl]-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206278
2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116705561
2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705566
2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116705569
2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
CID 116705570
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116705757

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one (CID 116705926) is 2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one is COC(c1ncc(I)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is JARMBSSMAPEDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O2/c1-14-7(5-2-3-5)8-11-4-6(10)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 306.10 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 116705926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).