4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C12H9F4N3 — CID 114563210

IUPAC4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(-c2cc(C(F)(F)F)nc(N)n2)ccc1F
InChIInChI=1S/C12H9F4N3/c1-6-4-7(2-3-8(6)13)9-5-10(12(14,15)16)19-11(17)18-9/h2-5H,1H3,(H2,17,18,19)
InChIKeyVOBIYHRGLWNMLD-UHFFFAOYSA-N
MW271.22 g/mol
LogP3.19
Rot. Bonds1

About 4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563210) has the molecular formula C12H9F4N3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563210
Molecular FormulaC12H9F4N3
Molecular Weight271.22 g/mol
Exact Mass271.07
IUPAC Name4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(-c2cc(C(F)(F)F)nc(N)n2)ccc1F
InChIInChI=1S/C12H9F4N3/c1-6-4-7(2-3-8(6)13)9-5-10(12(14,15)16)19-11(17)18-9/h2-5H,1H3,(H2,17,18,19)
InChIKeyVOBIYHRGLWNMLD-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-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 91926916
4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563284
4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563197
4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563437
4-(4-fluoro-3-methylphenyl)imidazole-1,2-diamine
CID 82283259
4-(2,3,4,5,6-pentadeuteriophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 165345967
2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine
CID 82299783
4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802815
4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine
CID 39819363
4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563356
4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468667

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563210) is 4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(-c2cc(C(F)(F)F)nc(N)n2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is VOBIYHRGLWNMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3/c1-6-4-7(2-3-8(6)13)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-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).