2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide

C15H23FN4O3 — CID 128977522

IUPAC2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC1CN(c2ncc(F)cn2)CC(C)(C)O1
InChIInChI=1S/C15H23FN4O3/c1-15(2)10-20(14-17-5-11(16)6-18-14)7-12(23-15)8-22-9-13(21)19(3)4/h5-6,12H,7-10H2,1-4H3
InChIKeyCHHXABWRRUFNFH-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.70
Rot. Bonds5

About 2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide

2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 128977522) has the molecular formula C15H23FN4O3 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
PubChem CID128977522
Molecular FormulaC15H23FN4O3
Molecular Weight326.37 g/mol
Exact Mass326.18
IUPAC Name2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC1CN(c2ncc(F)cn2)CC(C)(C)O1
InChIInChI=1S/C15H23FN4O3/c1-15(2)10-20(14-17-5-11(16)6-18-14)7-12(23-15)8-22-9-13(21)19(3)4/h5-6,12H,7-10H2,1-4H3
InChIKeyCHHXABWRRUFNFH-UHFFFAOYSA-N
XLogP0.70
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide (CID 128977522) is 2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COCC1CN(c2ncc(F)cn2)CC(C)(C)O1.
What is the InChIKey of 2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is CHHXABWRRUFNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O3/c1-15(2)10-20(14-17-5-11(16)6-18-14)7-12(23-15)8-22-9-13(21)19(3)4/h5-6,12H,7-10H2,1-4H3.
What are the key properties of 2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 326.37 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 128977522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).