2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide

C18H27F3N4O2 — CID 154784022

IUPAC2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide
SMILESCC(C)C(C)(C)C(=O)NCC1(C)CN(c2nccc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C18H27F3N4O2/c1-12(2)16(3,4)14(26)23-10-17(5)11-25(8-9-27-17)15-22-7-6-13(24-15)18(19,20)21/h6-7,12H,8-11H2,1-5H3,(H,23,26)
InChIKeyFVUWFGARYFQONU-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.89
Rot. Bonds5

About 2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide

2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide (PubChem CID 154784022) has the molecular formula C18H27F3N4O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide.

Molecular Properties

Compound Name2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide
PubChem CID154784022
Molecular FormulaC18H27F3N4O2
Molecular Weight388.43 g/mol
Exact Mass388.21
IUPAC Name2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide
SMILESCC(C)C(C)(C)C(=O)NCC1(C)CN(c2nccc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C18H27F3N4O2/c1-12(2)16(3,4)14(26)23-10-17(5)11-25(8-9-27-17)15-22-7-6-13(24-15)18(19,20)21/h6-7,12H,8-11H2,1-5H3,(H,23,26)
InChIKeyFVUWFGARYFQONU-UHFFFAOYSA-N
XLogP2.89
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxyacetic acid
CID 102657962
3-ethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 64586238
2-(ethylamino)-2-(2-oxoethyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 87799581
3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane
CID 131661576
2,2-diethyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide
CID 133496926
2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide
CID 163357546
2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
CID 107553663
ethyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 155980463
3-methyl-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]but-2-en-1-one
CID 56826568
2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
CID 67364339
[(9aR)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
CID 164633560
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
CID 67365390

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide?
The IUPAC name of 2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide (CID 154784022) is 2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide.
What is the SMILES notation for 2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide?
The canonical SMILES for 2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide is CC(C)C(C)(C)C(=O)NCC1(C)CN(c2nccc(C(F)(F)F)n2)CCO1.
What is the InChIKey of 2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide?
The InChIKey is FVUWFGARYFQONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N4O2/c1-12(2)16(3,4)14(26)23-10-17(5)11-25(8-9-27-17)15-22-7-6-13(24-15)18(19,20)21/h6-7,12H,8-11H2,1-5H3,(H,23,26).
What are the key properties of 2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide?
2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide has a molecular weight of 388.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide is sourced from PubChem (CID 154784022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).