4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C12H9F4N3 — CID 114563197

IUPAC4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(F)cc1-c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H9F4N3/c1-6-2-3-7(13)4-8(6)9-5-10(12(14,15)16)19-11(17)18-9/h2-5H,1H3,(H2,17,18,19)
InChIKeyZCEQTVOLMFNKJE-UHFFFAOYSA-N
MW271.22 g/mol
LogP3.19
Rot. Bonds1

About 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563197) has the molecular formula C12H9F4N3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563197
Molecular FormulaC12H9F4N3
Molecular Weight271.22 g/mol
Exact Mass271.07
IUPAC Name4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(F)cc1-c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H9F4N3/c1-6-2-3-7(13)4-8(6)9-5-10(12(14,15)16)19-11(17)18-9/h2-5H,1H3,(H2,17,18,19)
InChIKeyZCEQTVOLMFNKJE-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

4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563356
4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563210
4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 91926916
4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106514596
4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157068956
4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563284
[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 91926616
6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189587
4-(2,3,4,5,6-pentadeuteriophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 165345967
2-(5-fluoro-2-methylphenyl)-6-methylpyrimidin-4-amine
CID 55208923
4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114690923
4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952149

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563197) is 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is Cc1ccc(F)cc1-c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZCEQTVOLMFNKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3/c1-6-2-3-7(13)4-8(6)9-5-10(12(14,15)16)19-11(17)18-9/h2-5H,1H3,(H2,17,18,19).
What are the key properties of 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-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-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).