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

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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).