4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

C12H10F3N3 — CID 69406899

IUPAC4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1nc(N)ncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3/c1-7-10(6-17-11(16)18-7)8-3-2-4-9(5-8)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyLBFLFESXIAKJNL-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.05
Rot. Bonds1

About 4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 69406899) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID69406899
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1nc(N)ncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3/c1-7-10(6-17-11(16)18-7)8-3-2-4-9(5-8)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyLBFLFESXIAKJNL-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103260
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
6-methyl-2-(6-methyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 163857045
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
ethyl 2-(4-methyl-2-phenylpyrimidin-5-yl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 162537231
4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine
CID 138805638
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 102755489
1-[4-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone
CID 62771012
8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 70654559

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 69406899) is 4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is Cc1nc(N)ncc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is LBFLFESXIAKJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-7-10(6-17-11(16)18-7)8-3-2-4-9(5-8)12(13,14)15/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 253.23 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 69406899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).