(1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine

C9H12F3N3O — CID 175830850

IUPAC(1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine
SMILESCc1nc(OCC(F)(F)F)cc([C@@H](C)N)n1
InChIInChI=1S/C9H12F3N3O/c1-5(13)7-3-8(15-6(2)14-7)16-4-9(10,11)12/h3,5H,4,13H2,1-2H3/t5-/m1/s1
InChIKeyIGDPHNZJVPUAPR-RXMQYKEDSA-N
MW235.21 g/mol
LogP1.75
Rot. Bonds3

About (1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine

(1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine (PubChem CID 175830850) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is (1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine
PubChem CID175830850
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name(1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine
SMILESCc1nc(OCC(F)(F)F)cc([C@@H](C)N)n1
InChIInChI=1S/C9H12F3N3O/c1-5(13)7-3-8(15-6(2)14-7)16-4-9(10,11)12/h3,5H,4,13H2,1-2H3/t5-/m1/s1
InChIKeyIGDPHNZJVPUAPR-RXMQYKEDSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine?
The IUPAC name of (1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine (CID 175830850) is (1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine is Cc1nc(OCC(F)(F)F)cc([C@@H](C)N)n1.
What is the InChIKey of (1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine?
The InChIKey is IGDPHNZJVPUAPR-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5(13)7-3-8(15-6(2)14-7)16-4-9(10,11)12/h3,5H,4,13H2,1-2H3/t5-/m1/s1.
What are the key properties of (1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine?
(1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine has a molecular weight of 235.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 175830850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).