N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine

C9H12F3N3O — CID 103476549

IUPACN-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine
SMILESCNCc1ccnc(COCC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-13-4-7-2-3-14-8(15-7)5-16-6-9(10,11)12/h2-3,13H,4-6H2,1H3
InChIKeyXJZHAMZVNCWLAA-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.27
Rot. Bonds5

About N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine

N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine (PubChem CID 103476549) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine
PubChem CID103476549
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine
SMILESCNCc1ccnc(COCC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-13-4-7-2-3-14-8(15-7)5-16-6-9(10,11)12/h2-3,13H,4-6H2,1H3
InChIKeyXJZHAMZVNCWLAA-UHFFFAOYSA-N
XLogP1.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine (CID 103476549) is N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine is CNCc1ccnc(COCC(F)(F)F)n1.
What is the InChIKey of N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine?
The InChIKey is XJZHAMZVNCWLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-13-4-7-2-3-14-8(15-7)5-16-6-9(10,11)12/h2-3,13H,4-6H2,1H3.
What are the key properties of N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine?
N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine has a molecular weight of 235.21 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 103476549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).