5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine

C15H16F3N3O — CID 133423753

IUPAC5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCc1cnc(NCc2cccc(COCC(F)(F)F)c2)nc1
InChIInChI=1S/C15H16F3N3O/c1-11-6-19-14(20-7-11)21-8-12-3-2-4-13(5-12)9-22-10-15(16,17)18/h2-7H,8-10H2,1H3,(H,19,20,21)
InChIKeyKLMDTPUYZMWGFH-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.48
Rot. Bonds6

About 5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine

5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 133423753) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID133423753
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCc1cnc(NCc2cccc(COCC(F)(F)F)c2)nc1
InChIInChI=1S/C15H16F3N3O/c1-11-6-19-14(20-7-11)21-8-12-3-2-4-13(5-12)9-22-10-15(16,17)18/h2-7H,8-10H2,1H3,(H,19,20,21)
InChIKeyKLMDTPUYZMWGFH-UHFFFAOYSA-N
XLogP3.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 62444453
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
2-methyl-3-oxo-3-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]propanoic acid
CID 122066448
5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 63871875
2-methyl-1-[(3-methylphenyl)methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111856387
4-[[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methylcarbamoylamino]methyl]benzoic acid
CID 122007469
1-(2,2-dimethylpropoxymethyl)-3-methylbenzene
CID 91703784
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111857914
2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120993277
5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine
CID 133411690
5-(2-methylsulfanylethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 71738710
6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 75389888

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine (CID 133423753) is 5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine is Cc1cnc(NCc2cccc(COCC(F)(F)F)c2)nc1.
What is the InChIKey of 5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is KLMDTPUYZMWGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-11-6-19-14(20-7-11)21-8-12-3-2-4-13(5-12)9-22-10-15(16,17)18/h2-7H,8-10H2,1H3,(H,19,20,21).
What are the key properties of 5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine?
5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 311.31 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 133423753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).