2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

C7H9F3N4O — CID 141126369

IUPAC2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESNc1ncc(C(F)(F)F)c(NCCO)n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4-3-13-6(11)14-5(4)12-1-2-15/h3,15H,1-2H2,(H3,11,12,13,14)
InChIKeyIGYCZBNGBJKMSI-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.48
Rot. Bonds3

About 2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 141126369) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
PubChem CID141126369
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESNc1ncc(C(F)(F)F)c(NCCO)n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4-3-13-6(11)14-5(4)12-1-2-15/h3,15H,1-2H2,(H3,11,12,13,14)
InChIKeyIGYCZBNGBJKMSI-UHFFFAOYSA-N
XLogP0.48
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-Amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366465
[4-Amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 23615502
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol
CID 1928143
(5-Methylpyrimidin-2-yl)methanol
CID 23043337
(5-(Trifluoromethyl)pyrimidin-2-YL)methanol
CID 53401471
2-{[5-Fluoro-2-(4-morpholinyl)-4-pyrimidinyl]amino}ethanol
CID 1945080
2,4-Diamino-5-pyrimidinemethanol
CID 295878
2-[(5-Fluoro-2-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 3285987
2-[(2-Chloropyrimidin-4-yl)amino]ethanol
CID 4737628
1-[(2-Amino-5-ethylpyrimidin-4-YL)amino]-3-(dimethylamino)propan-2-OL
CID 72854104
1-[(2-Amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72934373
4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 126829731

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (CID 141126369) is 2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is Nc1ncc(C(F)(F)F)c(NCCO)n1.
What is the InChIKey of 2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is IGYCZBNGBJKMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)4-3-13-6(11)14-5(4)12-1-2-15/h3,15H,1-2H2,(H3,11,12,13,14).
What are the key properties of 2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 222.17 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 141126369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).