3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide

C12H18F3N5O — CID 106280556

IUPAC3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCCNc1nc(NCC(C)(C)C(N)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-4-17-10-19-7(12(13,14)15)5-8(20-10)18-6-11(2,3)9(16)21/h5H,4,6H2,1-3H3,(H2,16,21)(H2,17,18,19,20)
InChIKeySWYPSBRDCQVXRN-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.85
Rot. Bonds6

About 3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide

3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide (PubChem CID 106280556) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
PubChem CID106280556
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCCNc1nc(NCC(C)(C)C(N)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-4-17-10-19-7(12(13,14)15)5-8(20-10)18-6-11(2,3)9(16)21/h5H,4,6H2,1-3H3,(H2,16,21)(H2,17,18,19,20)
InChIKeySWYPSBRDCQVXRN-UHFFFAOYSA-N
XLogP1.85
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 114564759
2,2-dimethyl-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 106280469
N-ethyl-2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 114564470
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567304
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114565964
2-methyl-1-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565294
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564720
2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565253
4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563838
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280838
2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563709

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide (CID 106280556) is 3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide is CCNc1nc(NCC(C)(C)C(N)=O)cc(C(F)(F)F)n1.
What is the InChIKey of 3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The InChIKey is SWYPSBRDCQVXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-4-17-10-19-7(12(13,14)15)5-8(20-10)18-6-11(2,3)9(16)21/h5H,4,6H2,1-3H3,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide has a molecular weight of 305.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106280556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).