4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one

C11H16IN3O3 — CID 136989147

IUPAC4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
SMILESCC1(C)CN(c2nc[nH]c(=O)c2I)CC(CO)O1
InChIInChI=1S/C11H16IN3O3/c1-11(2)5-15(3-7(4-16)18-11)9-8(12)10(17)14-6-13-9/h6-7,16H,3-5H2,1-2H3,(H,13,14,17)
InChIKeyYDIRGZCVRBPFHO-UHFFFAOYSA-N
MW365.17 g/mol
LogP0.35
Rot. Bonds2

About 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one

4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136989147) has the molecular formula C11H16IN3O3 and a molecular weight of 365.17 g/mol. Its IUPAC name is 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136989147
Molecular FormulaC11H16IN3O3
Molecular Weight365.17 g/mol
Exact Mass365.02
IUPAC Name4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
SMILESCC1(C)CN(c2nc[nH]c(=O)c2I)CC(CO)O1
InChIInChI=1S/C11H16IN3O3/c1-11(2)5-15(3-7(4-16)18-11)9-8(12)10(17)14-6-13-9/h6-7,16H,3-5H2,1-2H3,(H,13,14,17)
InChIKeyYDIRGZCVRBPFHO-UHFFFAOYSA-N
XLogP0.35
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-iodo-1H-pyrimidin-6-one
CID 113632055
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783250
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783253
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783254
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136825657
4-[(2,3-dihydroxy-2-methylpropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956900
4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136958037
5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136958039
4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136958040
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136958054
5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136979789
4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136979791

Frequently Asked Questions

What is the IUPAC name of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one (CID 136989147) is 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one is CC1(C)CN(c2nc[nH]c(=O)c2I)CC(CO)O1.
What is the InChIKey of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is YDIRGZCVRBPFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O3/c1-11(2)5-15(3-7(4-16)18-11)9-8(12)10(17)14-6-13-9/h6-7,16H,3-5H2,1-2H3,(H,13,14,17).
What are the key properties of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 365.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136989147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).