2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide

C11H16F3N5O — CID 106773392

IUPAC2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O/c1-4-19(3)9(20)6(2)16-8-5-7(15)17-10(18-8)11(12,13)14/h5-6H,4H2,1-3H3,(H3,15,16,17,18)
InChIKeyAIAAIYZPSIWCBF-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.36
Rot. Bonds4

About 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide (PubChem CID 106773392) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
PubChem CID106773392
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O/c1-4-19(3)9(20)6(2)16-8-5-7(15)17-10(18-8)11(12,13)14/h5-6H,4H2,1-3H3,(H3,15,16,17,18)
InChIKeyAIAAIYZPSIWCBF-UHFFFAOYSA-N
XLogP1.36
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80960849
2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 106775480
4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769922
2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
CID 103365954
N-ethyl-N-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 103114042
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol
CID 106772304
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
CID 103106719
N-ethyl-2-[(6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 103114097
2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106770807
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771783
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 114157114
N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 103111436

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide (CID 106773392) is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is AIAAIYZPSIWCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-4-19(3)9(20)6(2)16-8-5-7(15)17-10(18-8)11(12,13)14/h5-6H,4H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide?
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 291.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 106773392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).