(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine

C10H14F3N3O — CID 103476596

IUPAC(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine
SMILESCc1nc(COCC(F)(F)F)ncc1[C@@H](C)N
InChIInChI=1S/C10H14F3N3O/c1-6(14)8-3-15-9(16-7(8)2)4-17-5-10(11,12)13/h3,6H,4-5,14H2,1-2H3/t6-/m1/s1
InChIKeyWUEJBDVZXMDDMC-ZCFIWIBFSA-N
MW249.24 g/mol
LogP1.88
Rot. Bonds4

About (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine

(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine (PubChem CID 103476596) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine
PubChem CID103476596
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine
SMILESCc1nc(COCC(F)(F)F)ncc1[C@@H](C)N
InChIInChI=1S/C10H14F3N3O/c1-6(14)8-3-15-9(16-7(8)2)4-17-5-10(11,12)13/h3,6H,4-5,14H2,1-2H3/t6-/m1/s1
InChIKeyWUEJBDVZXMDDMC-ZCFIWIBFSA-N
XLogP1.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine (CID 103476596) is (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine is Cc1nc(COCC(F)(F)F)ncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is WUEJBDVZXMDDMC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6(14)8-3-15-9(16-7(8)2)4-17-5-10(11,12)13/h3,6H,4-5,14H2,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine?
(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 249.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 103476596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).