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

C10H13IN2O3 — CID 116705757

IUPAC2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(I)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H13IN2O3/c1-2-16-7(5-3-4-5)8-12-9(14)6(11)10(15)13-8/h5,7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyRJPQFVUCBVODAA-UHFFFAOYSA-N
MW336.13 g/mol
LogP1.57
Rot. Bonds4

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

2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 116705757) has the molecular formula C10H13IN2O3 and a molecular weight of 336.13 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID116705757
Molecular FormulaC10H13IN2O3
Molecular Weight336.13 g/mol
Exact Mass336.00
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(I)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H13IN2O3/c1-2-16-7(5-3-4-5)8-12-9(14)6(11)10(15)13-8/h5,7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyRJPQFVUCBVODAA-UHFFFAOYSA-N
XLogP1.57
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 51.57
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-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 66286575
2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286779
4-hydroxy-5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82836955
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
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705664
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705672
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116705676
2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116705679
4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one
CID 116705680
2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116705682
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116705683

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 116705757) is 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one is CCOC(c1nc(O)c(I)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is RJPQFVUCBVODAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O3/c1-2-16-7(5-3-4-5)8-12-9(14)6(11)10(15)13-8/h5,7H,2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 336.13 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 116705757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).