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

C10H14IN3O2 — CID 136825657

IUPAC4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(c2nc[nH]c(=O)c2I)C[C@H](C)O1
InChIInChI=1S/C10H14IN3O2/c1-6-3-14(4-7(2)16-6)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15)/t6-,7+
InChIKeyVZMQIIIXIFWAHL-KNVOCYPGSA-N
MW335.15 g/mol
LogP0.99
Rot. Bonds1

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

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136825657) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136825657
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(c2nc[nH]c(=O)c2I)C[C@H](C)O1
InChIInChI=1S/C10H14IN3O2/c1-6-3-14(4-7(2)16-6)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15)/t6-,7+
InChIKeyVZMQIIIXIFWAHL-KNVOCYPGSA-N
XLogP0.99
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 150847759
4-[2-(fluoromethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 157738230
5-Iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one
CID 66309294
5-Iodo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
CID 66341111
5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102634996
5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749177
5-iodo-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749180
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783254
4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783260
5-bromo-4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783262
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783263
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
CID 136783265

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one (CID 136825657) is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one is C[C@@H]1CN(c2nc[nH]c(=O)c2I)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is VZMQIIIXIFWAHL-KNVOCYPGSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-6-3-14(4-7(2)16-6)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15)/t6-,7+.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136825657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).