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

C14H19F3N4O2 — CID 95712319

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C[C@H]2COCCN2)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)/t10-/m0/s1
InChIKeyGBWGKAXWIMBIPS-JTQLQIEISA-N
MW332.33 g/mol
LogP0.84
Rot. Bonds5

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

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide (PubChem CID 95712319) 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-[(3S)-morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide
PubChem CID95712319
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C[C@H]2COCCN2)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)/t10-/m0/s1
InChIKeyGBWGKAXWIMBIPS-JTQLQIEISA-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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Related Compounds

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
CID 80682093
(4aR,6S,8aR)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 163333468
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]oxolane-2-carboxamide
CID 91772807
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 97151501
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylpropanamide
CID 71796953
N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
CID 114143979
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-morpholin-3-ylacetamide
CID 106371651
(1S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclohex-3-ene-1-carboxamide
CID 95986255
3-ethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 91787691
2-morpholin-3-yl-N-octylacetamide
CID 113337235
(3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 126452220
(4S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97273214

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide (CID 95712319) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@H]2COCCN2)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide?
The InChIKey is GBWGKAXWIMBIPS-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide 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-[(3S)-morpholin-3-yl]acetamide is sourced from PubChem (CID 95712319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).