5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine

C8H11F3N4O — CID 105497430

IUPAC5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(C(F)(F)F)c1CCN
InChIInChI=1S/C8H11F3N4O/c1-16-6-4(2-3-12)5(8(9,10)11)14-7(13)15-6/h2-3,12H2,1H3,(H2,13,14,15)
InChIKeyCQCVMJCSVKLION-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.59
Rot. Bonds3

About 5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine

5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 105497430) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID105497430
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(C(F)(F)F)c1CCN
InChIInChI=1S/C8H11F3N4O/c1-16-6-4(2-3-12)5(8(9,10)11)14-7(13)15-6/h2-3,12H2,1H3,(H2,13,14,15)
InChIKeyCQCVMJCSVKLION-UHFFFAOYSA-N
XLogP0.59
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine (CID 105497430) is 5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine is COc1nc(N)nc(C(F)(F)F)c1CCN.
What is the InChIKey of 5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is CQCVMJCSVKLION-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-16-6-4(2-3-12)5(8(9,10)11)14-7(13)15-6/h2-3,12H2,1H3,(H2,13,14,15).
What are the key properties of 5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine?
5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 236.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 105497430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).