5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one

C13H20IN3O2 — CID 66342482

IUPAC5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CC1CN(C(C)C)CCO1
InChIInChI=1S/C13H20IN3O2/c1-9(2)16-4-5-19-11(7-16)8-17-10(3)15-6-12(14)13(17)18/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyWQDSEXSJIGMEIS-UHFFFAOYSA-N
MW377.23 g/mol
LogP1.27
Rot. Bonds3

About 5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one

5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one (PubChem CID 66342482) has the molecular formula C13H20IN3O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is 5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
PubChem CID66342482
Molecular FormulaC13H20IN3O2
Molecular Weight377.23 g/mol
Exact Mass377.06
IUPAC Name5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CC1CN(C(C)C)CCO1
InChIInChI=1S/C13H20IN3O2/c1-9(2)16-4-5-19-11(7-16)8-17-10(3)15-6-12(14)13(17)18/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyWQDSEXSJIGMEIS-UHFFFAOYSA-N
XLogP1.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 51.27
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-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one (CID 66342482) is 5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one is Cc1ncc(I)c(=O)n1CC1CN(C(C)C)CCO1.
What is the InChIKey of 5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is WQDSEXSJIGMEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O2/c1-9(2)16-4-5-19-11(7-16)8-17-10(3)15-6-12(14)13(17)18/h6,9,11H,4-5,7-8H2,1-3H3.
What are the key properties of 5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
5-iodo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 377.23 g/mol, XLogP of 1.27, 3 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-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 66342482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).