6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine

C6H6F3N3O — CID 66607644

IUPAC6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ncnc(N)c1C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c1-13-5-3(6(7,8)9)4(10)11-2-12-5/h2H,1H3,(H2,10,11,12)
InChIKeyZUEYFINVEPRAPJ-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.09
Rot. Bonds1

About 6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine

6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 66607644) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID66607644
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ncnc(N)c1C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c1-13-5-3(6(7,8)9)4(10)11-2-12-5/h2H,1H3,(H2,10,11,12)
InChIKeyZUEYFINVEPRAPJ-UHFFFAOYSA-N
XLogP1.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine (CID 66607644) is 6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine is COc1ncnc(N)c1C(F)(F)F.
What is the InChIKey of 6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZUEYFINVEPRAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-13-5-3(6(7,8)9)4(10)11-2-12-5/h2H,1H3,(H2,10,11,12).
What are the key properties of 6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine?
6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 193.13 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 66607644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).