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

C10H14F3N3O — CID 129409511

IUPAC(2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine
SMILESCOCC[C@@H](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/t7-/m0/s1
InChIKeyUTVLEAIPENQGAA-ZETCQYMHSA-N
MW249.24 g/mol
LogP1.57
Rot. Bonds5

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

(2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine (PubChem CID 129409511) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is (2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine.

Molecular Properties

Compound Name(2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine
PubChem CID129409511
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name(2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine
SMILESCOCC[C@@H](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/t7-/m0/s1
InChIKeyUTVLEAIPENQGAA-ZETCQYMHSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine?
The IUPAC name of (2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine (CID 129409511) is (2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine.
What is the SMILES notation for (2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine?
The canonical SMILES for (2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine is COCC[C@@H](CN)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of (2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine?
The InChIKey is UTVLEAIPENQGAA-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of (2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine?
(2R)-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 (2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine is sourced from PubChem (CID 129409511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).