N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine

C9H12F3N3O — CID 64585867

IUPACN-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine
SMILESCNCC(C)Oc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-6(5-13-2)16-8-14-4-3-7(15-8)9(10,11)12/h3-4,6,13H,5H2,1-2H3
InChIKeyPCNIQUFQMRNNQW-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.48
Rot. Bonds4

About N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine

N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine (PubChem CID 64585867) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine
PubChem CID64585867
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine
SMILESCNCC(C)Oc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-6(5-13-2)16-8-14-4-3-7(15-8)9(10,11)12/h3-4,6,13H,5H2,1-2H3
InChIKeyPCNIQUFQMRNNQW-UHFFFAOYSA-N
XLogP1.48
TPSA47.04 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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine?
The IUPAC name of N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine (CID 64585867) is N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine.
What is the SMILES notation for N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine?
The canonical SMILES for N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine is CNCC(C)Oc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine?
The InChIKey is PCNIQUFQMRNNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6(5-13-2)16-8-14-4-3-7(15-8)9(10,11)12/h3-4,6,13H,5H2,1-2H3.
What are the key properties of N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine?
N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine has a molecular weight of 235.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine is sourced from PubChem (CID 64585867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).