5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one

C10H15IN2O3 — CID 103182050

IUPAC5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
SMILESCOCCCOCCn1cncc(I)c1=O
InChIInChI=1S/C10H15IN2O3/c1-15-4-2-5-16-6-3-13-8-12-7-9(11)10(13)14/h7-8H,2-6H2,1H3
InChIKeyHHKRCOKYGGJLRO-UHFFFAOYSA-N
MW338.15 g/mol
LogP0.90
Rot. Bonds7

About 5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one

5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one (PubChem CID 103182050) has the molecular formula C10H15IN2O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
PubChem CID103182050
Molecular FormulaC10H15IN2O3
Molecular Weight338.15 g/mol
Exact Mass338.01
IUPAC Name5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
SMILESCOCCCOCCn1cncc(I)c1=O
InChIInChI=1S/C10H15IN2O3/c1-15-4-2-5-16-6-3-13-8-12-7-9(11)10(13)14/h7-8H,2-6H2,1H3
InChIKeyHHKRCOKYGGJLRO-UHFFFAOYSA-N
XLogP0.90
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 66309498
5-Iodo-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 66310778
5-Iodo-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 66340699
Ethyl 2-fluoro-2-(5-iodo-6-oxopyrimidin-1-yl)acetate
CID 81298420
3-(2-Methoxyethyl)pyrimidin-4-one
CID 115679421
5-Iodo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
CID 66307810
5-Bromo-3-(2-ethoxyethyl)pyrimidin-4-one
CID 66307878
3-(2,2-Diethoxyethyl)-5-iodopyrimidin-4-one
CID 66308028
3-[2-(2-Butoxyethylamino)ethyl]-5-iodopyrimidin-4-one
CID 66308041
5-Iodo-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 66308211
3-(2,2-Dimethoxyethyl)-5-iodopyrimidin-4-one
CID 66308655
3-[2-(2-Hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one
CID 66308838

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one (CID 103182050) is 5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one is COCCCOCCn1cncc(I)c1=O.
What is the InChIKey of 5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The InChIKey is HHKRCOKYGGJLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O3/c1-15-4-2-5-16-6-3-13-8-12-7-9(11)10(13)14/h7-8H,2-6H2,1H3.
What are the key properties of 5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one has a molecular weight of 338.15 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 103182050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).