N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide

C10H9F6N3O — CID 659676

IUPACN-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide
SMILESCCC(C(=O)Nc1ncccn1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F6N3O/c1-2-8(9(11,12)13,10(14,15)16)6(20)19-7-17-4-3-5-18-7/h3-5H,2H2,1H3,(H,17,18,19,20)
InChIKeyLLXYKXULVJYLME-UHFFFAOYSA-N
MW301.19 g/mol
LogP2.94
Rot. Bonds3

About N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide

N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide (PubChem CID 659676) has the molecular formula C10H9F6N3O and a molecular weight of 301.19 g/mol. Its IUPAC name is N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide
PubChem CID659676
Molecular FormulaC10H9F6N3O
Molecular Weight301.19 g/mol
Exact Mass301.06
IUPAC NameN-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide
SMILESCCC(C(=O)Nc1ncccn1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F6N3O/c1-2-8(9(11,12)13,10(14,15)16)6(20)19-7-17-4-3-5-18-7/h3-5H,2H2,1H3,(H,17,18,19,20)
InChIKeyLLXYKXULVJYLME-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)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

2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide
CID 3290678
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-pyrimidin-2-ylurea
CID 658898
2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide
CID 114291865
2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide
CID 114291024
carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide
CID 87240308
3-chloro-2,2-dimethyl-N-pyrimidin-2-ylpropanamide
CID 63679565
N-pyrimidin-2-ylcarbamoyl fluoride
CID 58939190
2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide
CID 2921686
(2S)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyrimidin-2-ylpropanamide
CID 163171682
N-propyl-N'-pyrimidin-2-yloxamide
CID 44996511
N-[2-chloro-4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287474
N-pyrimidin-2-yltetradecanamide
CID 4052382

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide?
The IUPAC name of N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide (CID 659676) is N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide.
What is the SMILES notation for N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide?
The canonical SMILES for N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide is CCC(C(=O)Nc1ncccn1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide?
The InChIKey is LLXYKXULVJYLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6N3O/c1-2-8(9(11,12)13,10(14,15)16)6(20)19-7-17-4-3-5-18-7/h3-5H,2H2,1H3,(H,17,18,19,20).
What are the key properties of N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide?
N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide has a molecular weight of 301.19 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide is sourced from PubChem (CID 659676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).