(6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine

C13H20ClN3O3 — CID 129485287

IUPAC(6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@H]1CN(c2nc(OC)ncc2Cl)CC(C)(C)O1
InChIInChI=1S/C13H20ClN3O3/c1-13(2)8-17(6-9(20-13)7-18-3)11-10(14)5-15-12(16-11)19-4/h5,9H,6-8H2,1-4H3/t9-/m1/s1
InChIKeyWGSDEBYVVNZTJD-SECBINFHSA-N
MW301.77 g/mol
LogP1.77
Rot. Bonds4

About (6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine

(6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine (PubChem CID 129485287) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is (6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
PubChem CID129485287
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name(6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@H]1CN(c2nc(OC)ncc2Cl)CC(C)(C)O1
InChIInChI=1S/C13H20ClN3O3/c1-13(2)8-17(6-9(20-13)7-18-3)11-10(14)5-15-12(16-11)19-4/h5,9H,6-8H2,1-4H3/t9-/m1/s1
InChIKeyWGSDEBYVVNZTJD-SECBINFHSA-N
XLogP1.77
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine?
The IUPAC name of (6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine (CID 129485287) is (6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for (6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine?
The canonical SMILES for (6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine is COC[C@H]1CN(c2nc(OC)ncc2Cl)CC(C)(C)O1.
What is the InChIKey of (6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine?
The InChIKey is WGSDEBYVVNZTJD-SECBINFHSA-N. The full InChI is InChI=1S/C13H20ClN3O3/c1-13(2)8-17(6-9(20-13)7-18-3)11-10(14)5-15-12(16-11)19-4/h5,9H,6-8H2,1-4H3/t9-/m1/s1.
What are the key properties of (6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine?
(6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine has a molecular weight of 301.77 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(5-chloro-2-methoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 129485287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).