5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione

C10H12IN3O4 — CID 1448036

IUPAC5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione
SMILESO=C(Cn1cc(I)c(=O)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C10H12IN3O4/c11-7-5-14(10(17)12-9(7)16)6-8(15)13-1-3-18-4-2-13/h5H,1-4,6H2,(H,12,16,17)
InChIKeyWCNOAENQAPWOCN-UHFFFAOYSA-N
MW365.13 g/mol
LogP-1.00
Rot. Bonds2

About 5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione

5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione (PubChem CID 1448036) has the molecular formula C10H12IN3O4 and a molecular weight of 365.13 g/mol. Its IUPAC name is 5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione
PubChem CID1448036
Molecular FormulaC10H12IN3O4
Molecular Weight365.13 g/mol
Exact Mass364.99
IUPAC Name5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione
SMILESO=C(Cn1cc(I)c(=O)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C10H12IN3O4/c11-7-5-14(10(17)12-9(7)16)6-8(15)13-1-3-18-4-2-13/h5H,1-4,6H2,(H,12,16,17)
InChIKeyWCNOAENQAPWOCN-UHFFFAOYSA-N
XLogP-1.00
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.13
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
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-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione (CID 1448036) is 5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione is O=C(Cn1cc(I)c(=O)[nH]c1=O)N1CCOCC1.
What is the InChIKey of 5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione?
The InChIKey is WCNOAENQAPWOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O4/c11-7-5-14(10(17)12-9(7)16)6-8(15)13-1-3-18-4-2-13/h5H,1-4,6H2,(H,12,16,17).
What are the key properties of 5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione?
5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione has a molecular weight of 365.13 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 1448036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).