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

C10H14IN3O2 — CID 66340932

IUPAC5-iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CC1CNCCO1
InChIInChI=1S/C10H14IN3O2/c1-7-13-5-9(11)10(15)14(7)6-8-4-12-2-3-16-8/h5,8,12H,2-4,6H2,1H3
InChIKeyUEXPCJASEIWPTP-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.14
Rot. Bonds2

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

5-iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one (PubChem CID 66340932) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 5-iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
PubChem CID66340932
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name5-iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CC1CNCCO1
InChIInChI=1S/C10H14IN3O2/c1-7-13-5-9(11)10(15)14(7)6-8-4-12-2-3-16-8/h5,8,12H,2-4,6H2,1H3
InChIKeyUEXPCJASEIWPTP-UHFFFAOYSA-N
XLogP0.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.14
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-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one (CID 66340932) is 5-iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one is Cc1ncc(I)c(=O)n1CC1CNCCO1.
What is the InChIKey of 5-iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is UEXPCJASEIWPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-7-13-5-9(11)10(15)14(7)6-8-4-12-2-3-16-8/h5,8,12H,2-4,6H2,1H3.
What are the key properties of 5-iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one?
5-iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 335.15 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 66340932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).