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

C9H12F3N3O — CID 83896404

IUPAC2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine
SMILESCOc1cc(C(C)CN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-5(4-13)6-3-7(16-2)15-8(14-6)9(10,11)12/h3,5H,4,13H2,1-2H3
InChIKeySDELZTLUYGPWIU-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.57
Rot. Bonds3

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

2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine (PubChem CID 83896404) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine
PubChem CID83896404
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine
SMILESCOc1cc(C(C)CN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-5(4-13)6-3-7(16-2)15-8(14-6)9(10,11)12/h3,5H,4,13H2,1-2H3
InChIKeySDELZTLUYGPWIU-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine?
The IUPAC name of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine (CID 83896404) is 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine.
What is the SMILES notation for 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine?
The canonical SMILES for 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine is COc1cc(C(C)CN)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine?
The InChIKey is SDELZTLUYGPWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5(4-13)6-3-7(16-2)15-8(14-6)9(10,11)12/h3,5H,4,13H2,1-2H3.
What are the key properties of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine?
2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine has a molecular weight of 235.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine is sourced from PubChem (CID 83896404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).