3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine

C9H12F3N3O — CID 83896401

IUPAC3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine
SMILESCOc1cc(CCCN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-16-7-5-6(3-2-4-13)14-8(15-7)9(10,11)12/h5H,2-4,13H2,1H3
InChIKeyGBSRTCYASDGOGC-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.40
Rot. Bonds4

About 3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine

3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine (PubChem CID 83896401) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine
PubChem CID83896401
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine
SMILESCOc1cc(CCCN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-16-7-5-6(3-2-4-13)14-8(15-7)9(10,11)12/h5H,2-4,13H2,1H3
InChIKeyGBSRTCYASDGOGC-UHFFFAOYSA-N
XLogP1.40
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine?
The IUPAC name of 3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine (CID 83896401) is 3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine.
What is the SMILES notation for 3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine?
The canonical SMILES for 3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine is COc1cc(CCCN)nc(C(F)(F)F)n1.
What is the InChIKey of 3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine?
The InChIKey is GBSRTCYASDGOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-16-7-5-6(3-2-4-13)14-8(15-7)9(10,11)12/h5H,2-4,13H2,1H3.
What are the key properties of 3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine?
3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine has a molecular weight of 235.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine is sourced from PubChem (CID 83896401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).