N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide

C11H15F3N4O — CID 47159154

IUPACN-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCCCNC(=O)C(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-3-5-15-9(19)7(2)17-10-16-6-4-8(18-10)11(12,13)14/h4,6-7H,3,5H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeySAOPVZDALFTYPA-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.82
Rot. Bonds5

About N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide

N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (PubChem CID 47159154) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
PubChem CID47159154
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCCCNC(=O)C(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-3-5-15-9(19)7(2)17-10-16-6-4-8(18-10)11(12,13)14/h4,6-7H,3,5H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeySAOPVZDALFTYPA-UHFFFAOYSA-N
XLogP1.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide 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

N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47464136
N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 103111436
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 64584680
1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
CID 115584173
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 115659006
(2S)-2-amino-3,3-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]butanamide;hydrochloride
CID 119708124
2-methyl-1-propyl-3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]guanidine;hydroiodide
CID 111773683
N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
CID 60732159

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The IUPAC name of N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (CID 47159154) is N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.
What is the SMILES notation for N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The canonical SMILES for N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is CCCNC(=O)C(C)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The InChIKey is SAOPVZDALFTYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-3-5-15-9(19)7(2)17-10-16-6-4-8(18-10)11(12,13)14/h4,6-7H,3,5H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide has a molecular weight of 276.26 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is sourced from PubChem (CID 47159154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).