2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol

C8H10F3N3O — CID 82392522

IUPAC2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol
SMILESCc1nc(C(F)(F)F)ncc1C(O)CN
InChIInChI=1S/C8H10F3N3O/c1-4-5(6(15)2-12)3-13-7(14-4)8(9,10)11/h3,6,15H,2,12H2,1H3
InChIKeyWQMVYXAJJSOBJP-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.80
Rot. Bonds2

About 2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol

2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol (PubChem CID 82392522) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol
PubChem CID82392522
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol
SMILESCc1nc(C(F)(F)F)ncc1C(O)CN
InChIInChI=1S/C8H10F3N3O/c1-4-5(6(15)2-12)3-13-7(14-4)8(9,10)11/h3,6,15H,2,12H2,1H3
InChIKeyWQMVYXAJJSOBJP-UHFFFAOYSA-N
XLogP0.80
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The IUPAC name of 2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol (CID 82392522) is 2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The canonical SMILES for 2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol is Cc1nc(C(F)(F)F)ncc1C(O)CN.
What is the InChIKey of 2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The InChIKey is WQMVYXAJJSOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4-5(6(15)2-12)3-13-7(14-4)8(9,10)11/h3,6,15H,2,12H2,1H3.
What are the key properties of 2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol?
2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol has a molecular weight of 221.18 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 82392522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).