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

C12H9F4N3O — CID 114563356

IUPAC4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(F)cc1-c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H9F4N3O/c1-20-9-3-2-6(13)4-7(9)8-5-10(12(14,15)16)19-11(17)18-8/h2-5H,1H3,(H2,17,18,19)
InChIKeyGLZFSQJYPNQHNB-UHFFFAOYSA-N
MW287.22 g/mol
LogP2.89
Rot. Bonds2

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

4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563356) has the molecular formula C12H9F4N3O and a molecular weight of 287.22 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563356
Molecular FormulaC12H9F4N3O
Molecular Weight287.22 g/mol
Exact Mass287.07
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(F)cc1-c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H9F4N3O/c1-20-9-3-2-6(13)4-7(9)8-5-10(12(14,15)16)19-11(17)18-8/h2-5H,1H3,(H2,17,18,19)
InChIKeyGLZFSQJYPNQHNB-UHFFFAOYSA-N
XLogP2.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563197
5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 82392808
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848
6-(5-fluoro-2-methoxyphenyl)pyridin-2-amine
CID 61026023
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564803
4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563487
2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4619139
4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline
CID 104781195
4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563210
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
5-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 169499779

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563356) is 4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is COc1ccc(F)cc1-c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GLZFSQJYPNQHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O/c1-20-9-3-2-6(13)4-7(9)8-5-10(12(14,15)16)19-11(17)18-8/h2-5H,1H3,(H2,17,18,19).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 287.22 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).