2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide

C8H10F3N5O — CID 106770810

IUPAC2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCC(Nc1cc(N)nc(C(F)(F)F)n1)C(N)=O
InChIInChI=1S/C8H10F3N5O/c1-3(6(13)17)14-5-2-4(12)15-7(16-5)8(9,10)11/h2-3H,1H3,(H2,13,17)(H3,12,14,15,16)
InChIKeyYEFMLQPTELLZIA-UHFFFAOYSA-N
MW249.20 g/mol
LogP0.36
Rot. Bonds3

About 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (PubChem CID 106770810) has the molecular formula C8H10F3N5O and a molecular weight of 249.20 g/mol. Its IUPAC name is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
PubChem CID106770810
Molecular FormulaC8H10F3N5O
Molecular Weight249.20 g/mol
Exact Mass249.08
IUPAC Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCC(Nc1cc(N)nc(C(F)(F)F)n1)C(N)=O
InChIInChI=1S/C8H10F3N5O/c1-3(6(13)17)14-5-2-4(12)15-7(16-5)8(9,10)11/h2-3H,1H3,(H2,13,17)(H3,12,14,15,16)
InChIKeyYEFMLQPTELLZIA-UHFFFAOYSA-N
XLogP0.36
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-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-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)acetamide
CID 45497026
N-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)pivalamide
CID 45497028
6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 24745504
(S)-2-(2-chloropyrimidin-4-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 58897098
2-[(2-chloropyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 72456418
2-(4,6-dichloro-pyrimidin-2-ylamino)-N-(2,2,2-trifluoro-ethyl)-propionamide
CID 86614829
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide
CID 87642930
2-[(2,6-dichloropyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87774717
(2S)-2-[(4,6-dichloropyrimidin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87869769
(2S)-2-[(2,6-dichloropyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87869858
N-[6-fluoro-2-(methylamino)pyrimidin-4-yl]acetamide
CID 89881788
4-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770390

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (CID 106770810) is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is CC(Nc1cc(N)nc(C(F)(F)F)n1)C(N)=O.
What is the InChIKey of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The InChIKey is YEFMLQPTELLZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O/c1-3(6(13)17)14-5-2-4(12)15-7(16-5)8(9,10)11/h2-3H,1H3,(H2,13,17)(H3,12,14,15,16).
What are the key properties of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide has a molecular weight of 249.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 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]propanamide is sourced from PubChem (CID 106770810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).