[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine

C8H10F3N3O — CID 82392523

IUPAC[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCOc1nc(C)nc(C(F)(F)F)c1CN
InChIInChI=1S/C8H10F3N3O/c1-4-13-6(8(9,10)11)5(3-12)7(14-4)15-2/h3,12H2,1-2H3
InChIKeyZJXIAZWVFGYOFH-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.27
Rot. Bonds2

About [4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine

[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 82392523) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is [4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID82392523
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCOc1nc(C)nc(C(F)(F)F)c1CN
InChIInChI=1S/C8H10F3N3O/c1-4-13-6(8(9,10)11)5(3-12)7(14-4)15-2/h3,12H2,1-2H3
InChIKeyZJXIAZWVFGYOFH-UHFFFAOYSA-N
XLogP1.27
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine (CID 82392523) is [4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine is COc1nc(C)nc(C(F)(F)F)c1CN.
What is the InChIKey of [4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is ZJXIAZWVFGYOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4-13-6(8(9,10)11)5(3-12)7(14-4)15-2/h3,12H2,1-2H3.
What are the key properties of [4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine?
[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 221.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 82392523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).