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

C10H14ClN3O3 — CID 151028371

IUPAC5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(c2nc(O)c(Cl)c(=O)[nH]2)C[C@H](C)O1
InChIInChI=1S/C10H14ClN3O3/c1-5-3-14(4-6(2)17-5)10-12-8(15)7(11)9(16)13-10/h5-6H,3-4H2,1-2H3,(H2,12,13,15,16)/t5-,6+
InChIKeyLZNGVLGUVOVNNP-OLQVQODUSA-N
MW259.69 g/mol
LogP0.74
Rot. Bonds1

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

5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 151028371) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID151028371
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(c2nc(O)c(Cl)c(=O)[nH]2)C[C@H](C)O1
InChIInChI=1S/C10H14ClN3O3/c1-5-3-14(4-6(2)17-5)10-12-8(15)7(11)9(16)13-10/h5-6H,3-4H2,1-2H3,(H2,12,13,15,16)/t5-,6+
InChIKeyLZNGVLGUVOVNNP-OLQVQODUSA-N
XLogP0.74
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one (CID 151028371) is 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one is C[C@@H]1CN(c2nc(O)c(Cl)c(=O)[nH]2)C[C@H](C)O1.
What is the InChIKey of 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is LZNGVLGUVOVNNP-OLQVQODUSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-5-3-14(4-6(2)17-5)10-12-8(15)7(11)9(16)13-10/h5-6H,3-4H2,1-2H3,(H2,12,13,15,16)/t5-,6+.
What are the key properties of 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one?
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 259.69 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 151028371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).