N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide

C14H19F3N4O2 — CID 56888816

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)CC2COCCN2)n1
InChIInChI=1S/C14H19F3N4O2/c1-9-6-11(14(15,16)17)21-12(20-9)2-3-19-13(22)7-10-8-23-5-4-18-10/h6,10,18H,2-5,7-8H2,1H3,(H,19,22)
InChIKeyGBWGKAXWIMBIPS-UHFFFAOYSA-N
MW332.33 g/mol
LogP0.84
Rot. Bonds5

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide (PubChem CID 56888816) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide
PubChem CID56888816
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)CC2COCCN2)n1
InChIInChI=1S/C14H19F3N4O2/c1-9-6-11(14(15,16)17)21-12(20-9)2-3-19-13(22)7-10-8-23-5-4-18-10/h6,10,18H,2-5,7-8H2,1H3,(H,19,22)
InChIKeyGBWGKAXWIMBIPS-UHFFFAOYSA-N
XLogP0.84
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide (CID 56888816) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)CC2COCCN2)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide?
The InChIKey is GBWGKAXWIMBIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-9-6-11(14(15,16)17)21-12(20-9)2-3-19-13(22)7-10-8-23-5-4-18-10/h6,10,18H,2-5,7-8H2,1H3,(H,19,22).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide has a molecular weight of 332.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 56888816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).