5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one

C11H14IN3O3 — CID 66340909

IUPAC5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CC(=O)N1CCOCC1
InChIInChI=1S/C11H14IN3O3/c1-8-13-6-9(12)11(17)15(8)7-10(16)14-2-4-18-5-3-14/h6H,2-5,7H2,1H3
InChIKeyKSIVZVSOXZPPRX-UHFFFAOYSA-N
MW363.16 g/mol
LogP0.02
Rot. Bonds2

About 5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one

5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (PubChem CID 66340909) has the molecular formula C11H14IN3O3 and a molecular weight of 363.16 g/mol. Its IUPAC name is 5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
PubChem CID66340909
Molecular FormulaC11H14IN3O3
Molecular Weight363.16 g/mol
Exact Mass363.01
IUPAC Name5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CC(=O)N1CCOCC1
InChIInChI=1S/C11H14IN3O3/c1-8-13-6-9(12)11(17)15(8)7-10(16)14-2-4-18-5-3-14/h6H,2-5,7H2,1H3
InChIKeyKSIVZVSOXZPPRX-UHFFFAOYSA-N
XLogP0.02
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (CID 66340909) is 5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one is Cc1ncc(I)c(=O)n1CC(=O)N1CCOCC1.
What is the InChIKey of 5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The InChIKey is KSIVZVSOXZPPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O3/c1-8-13-6-9(12)11(17)15(8)7-10(16)14-2-4-18-5-3-14/h6H,2-5,7H2,1H3.
What are the key properties of 5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one has a molecular weight of 363.16 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one is sourced from PubChem (CID 66340909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).