4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine

C12H9F4N3 — CID 107290505

IUPAC4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1-c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C12H9F4N3/c1-6-5-18-11(17)19-10(6)7-2-3-8(9(13)4-7)12(14,15)16/h2-5H,1H3,(H2,17,18,19)
InChIKeyMVNXPUICUVXLJK-UHFFFAOYSA-N
MW271.22 g/mol
LogP3.19
Rot. Bonds1

About 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine

4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine (PubChem CID 107290505) has the molecular formula C12H9F4N3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine
PubChem CID107290505
Molecular FormulaC12H9F4N3
Molecular Weight271.22 g/mol
Exact Mass271.07
IUPAC Name4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1-c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C12H9F4N3/c1-6-5-18-11(17)19-10(6)7-2-3-8(9(13)4-7)12(14,15)16/h2-5H,1H3,(H2,17,18,19)
InChIKeyMVNXPUICUVXLJK-UHFFFAOYSA-N
XLogP3.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile
CID 68627082
6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine
CID 107290483
4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine
CID 104739316
5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine
CID 10331419
4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine
CID 107290360
4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-(trifluoromethyl)aniline
CID 166047782
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899
5-fluoro-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 58742235
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80840874
[3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane
CID 162581560
5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80762862

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine?
The IUPAC name of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine (CID 107290505) is 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1-c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine?
The InChIKey is MVNXPUICUVXLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3/c1-6-5-18-11(17)19-10(6)7-2-3-8(9(13)4-7)12(14,15)16/h2-5H,1H3,(H2,17,18,19).
What are the key properties of 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine?
4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine has a molecular weight of 271.22 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 107290505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).