4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine

C10H14F3N3O — CID 86716396

IUPAC4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine
SMILESCOCCC(CN)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H14F3N3O/c1-17-3-2-7(4-14)8-5-15-9(16-6-8)10(11,12)13/h5-7H,2-4,14H2,1H3
InChIKeyUTVLEAIPENQGAA-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.57
Rot. Bonds5

About 4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine

4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine (PubChem CID 86716396) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine
PubChem CID86716396
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine
SMILESCOCCC(CN)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H14F3N3O/c1-17-3-2-7(4-14)8-5-15-9(16-6-8)10(11,12)13/h5-7H,2-4,14H2,1H3
InChIKeyUTVLEAIPENQGAA-UHFFFAOYSA-N
XLogP1.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine?
The IUPAC name of 4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine (CID 86716396) is 4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine.
What is the SMILES notation for 4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine?
The canonical SMILES for 4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine is COCCC(CN)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine?
The InChIKey is UTVLEAIPENQGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-17-3-2-7(4-14)8-5-15-9(16-6-8)10(11,12)13/h5-7H,2-4,14H2,1H3.
What are the key properties of 4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine?
4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine has a molecular weight of 249.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine is sourced from PubChem (CID 86716396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).