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

C11H16IN3O2 — CID 66341372

IUPAC5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCN1CCOCC1
InChIInChI=1S/C11H16IN3O2/c1-9-13-8-10(12)11(16)15(9)3-2-14-4-6-17-7-5-14/h8H,2-7H2,1H3
InChIKeyUUVPWNXNCXSQEP-UHFFFAOYSA-N
MW349.17 g/mol
LogP0.49
Rot. Bonds3

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

5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one (PubChem CID 66341372) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
PubChem CID66341372
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCN1CCOCC1
InChIInChI=1S/C11H16IN3O2/c1-9-13-8-10(12)11(16)15(9)3-2-14-4-6-17-7-5-14/h8H,2-7H2,1H3
InChIKeyUUVPWNXNCXSQEP-UHFFFAOYSA-N
XLogP0.49
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one
CID 66342259
3-[2-(cycloheptylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340070
5-iodo-2-methyl-3-[4-(propylamino)butyl]pyrimidin-4-one
CID 66340719
5-iodo-2-methyl-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 66340491
3-[2-(4-fluoroanilino)ethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340508
5-iodo-2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one
CID 102899735
6-amino-2-methyl-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 92565209
3-[(3-amino-5-bromophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 103350164
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762
5-iodo-2-methyl-3-(2-methylidenebutyl)pyrimidin-4-one
CID 66342700
3-[(4-ethylphenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342037
5-iodo-2-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one
CID 66342033

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one (CID 66341372) is 5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one is Cc1ncc(I)c(=O)n1CCN1CCOCC1.
What is the InChIKey of 5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The InChIKey is UUVPWNXNCXSQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-9-13-8-10(12)11(16)15(9)3-2-14-4-6-17-7-5-14/h8H,2-7H2,1H3.
What are the key properties of 5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
5-iodo-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one has a molecular weight of 349.17 g/mol, XLogP of 0.49, 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-(2-morpholin-4-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66341372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).