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

C12H17F3N4O — CID 47464136

IUPACN-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-4-7(2)17-10(20)8(3)18-11-16-6-5-9(19-11)12(13,14)15/h5-8H,4H2,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyPWLHHUZGONMXGG-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.21
Rot. Bonds5

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

N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (PubChem CID 47464136) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
PubChem CID47464136
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-4-7(2)17-10(20)8(3)18-11-16-6-5-9(19-11)12(13,14)15/h5-8H,4H2,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyPWLHHUZGONMXGG-UHFFFAOYSA-N
XLogP2.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (CID 47464136) is N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is CCC(C)NC(=O)C(C)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The InChIKey is PWLHHUZGONMXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-4-7(2)17-10(20)8(3)18-11-16-6-5-9(19-11)12(13,14)15/h5-8H,4H2,1-3H3,(H,17,20)(H,16,18,19).
What are the key properties of N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide has a molecular weight of 290.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is sourced from PubChem (CID 47464136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).