1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine

C9H12F3N3O — CID 83896403

IUPAC1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine
SMILESCOc1cc(CC(C)N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-5(13)3-6-4-7(16-2)15-8(14-6)9(10,11)12/h4-5H,3,13H2,1-2H3
InChIKeyTWRXRGWVQYOABW-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.39
Rot. Bonds3

About 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine

1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine (PubChem CID 83896403) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine
PubChem CID83896403
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine
SMILESCOc1cc(CC(C)N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-5(13)3-6-4-7(16-2)15-8(14-6)9(10,11)12/h4-5H,3,13H2,1-2H3
InChIKeyTWRXRGWVQYOABW-UHFFFAOYSA-N
XLogP1.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine (CID 83896403) is 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine is COc1cc(CC(C)N)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine?
The InChIKey is TWRXRGWVQYOABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5(13)3-6-4-7(16-2)15-8(14-6)9(10,11)12/h4-5H,3,13H2,1-2H3.
What are the key properties of 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine?
1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine has a molecular weight of 235.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 83896403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).