5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one

C9H12IN3O2 — CID 66309294

IUPAC5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CC1CNCCO1
InChIInChI=1S/C9H12IN3O2/c10-8-4-12-6-13(9(8)14)5-7-3-11-1-2-15-7/h4,6-7,11H,1-3,5H2
InChIKeyMUXJGUIGIBATCQ-UHFFFAOYSA-N
MW321.12 g/mol
LogP-0.16
Rot. Bonds2

About 5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one

5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one (PubChem CID 66309294) has the molecular formula C9H12IN3O2 and a molecular weight of 321.12 g/mol. Its IUPAC name is 5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one
PubChem CID66309294
Molecular FormulaC9H12IN3O2
Molecular Weight321.12 g/mol
Exact Mass321.00
IUPAC Name5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CC1CNCCO1
InChIInChI=1S/C9H12IN3O2/c10-8-4-12-6-13(9(8)14)5-7-3-11-1-2-15-7/h4,6-7,11H,1-3,5H2
InChIKeyMUXJGUIGIBATCQ-UHFFFAOYSA-N
XLogP-0.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 5-0.16
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-3-(morpholin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one (CID 66309294) is 5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one is O=c1c(I)cncn1CC1CNCCO1.
What is the InChIKey of 5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is MUXJGUIGIBATCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O2/c10-8-4-12-6-13(9(8)14)5-7-3-11-1-2-15-7/h4,6-7,11H,1-3,5H2.
What are the key properties of 5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one?
5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 321.12 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 66309294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).