2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide

C12H18F3N5O — CID 114565726

IUPAC2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide
SMILESCC(Nc1cc(C(F)(F)F)nc(N)n1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H18F3N5O/c1-6(9(21)20-11(2,3)4)17-8-5-7(12(13,14)15)18-10(16)19-8/h5-6H,1-4H3,(H,20,21)(H3,16,17,18,19)
InChIKeyLYHIDWINWAIFEQ-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.79
Rot. Bonds3

About 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide

2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide (PubChem CID 114565726) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide
PubChem CID114565726
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide
SMILESCC(Nc1cc(C(F)(F)F)nc(N)n1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H18F3N5O/c1-6(9(21)20-11(2,3)4)17-8-5-7(12(13,14)15)18-10(16)19-8/h5-6H,1-4H3,(H,20,21)(H3,16,17,18,19)
InChIKeyLYHIDWINWAIFEQ-UHFFFAOYSA-N
XLogP1.79
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564072
(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 114986067
N-tert-butyl-2-[(2,6-dimethylpyrimidin-4-yl)amino]propanamide
CID 112690921
4-N-(5-methylhexan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565132
4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563868
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358269
N-ethyl-2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 114564470
4-N-[1-(3-bromophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564530
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564446
N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide
CID 116699575
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
3-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 114565296

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide (CID 114565726) is 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide is CC(Nc1cc(C(F)(F)F)nc(N)n1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide?
The InChIKey is LYHIDWINWAIFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-6(9(21)20-11(2,3)4)17-8-5-7(12(13,14)15)18-10(16)19-8/h5-6H,1-4H3,(H,20,21)(H3,16,17,18,19).
What are the key properties of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide?
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide has a molecular weight of 305.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide is sourced from PubChem (CID 114565726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).