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

C6H6F3N3O — CID 23615502

IUPAC[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESNc1nc(C(F)(F)F)ncc1CO
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)5-11-1-3(2-13)4(10)12-5/h1,13H,2H2,(H2,10,11,12)
InChIKeyIYVBVUJCWWAGSJ-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.57
Rot. Bonds1

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

[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 23615502) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID23615502
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESNc1nc(C(F)(F)F)ncc1CO
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)5-11-1-3(2-13)4(10)12-5/h1,13H,2H2,(H2,10,11,12)
InChIKeyIYVBVUJCWWAGSJ-UHFFFAOYSA-N
XLogP0.57
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 23615502) is [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol is Nc1nc(C(F)(F)F)ncc1CO.
What is the InChIKey of [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is IYVBVUJCWWAGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)5-11-1-3(2-13)4(10)12-5/h1,13H,2H2,(H2,10,11,12).
What are the key properties of [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol?
[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 193.13 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 23615502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).