3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C17H14F3N5O — CID 169108464

IUPAC3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCCOc1ncc(-c2nccnc2Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H14F3N5O/c1-2-26-16-23-9-11(10-24-16)14-15(22-8-7-21-14)25-13-5-3-12(4-6-13)17(18,19)20/h3-10H,2H2,1H3,(H,22,25)
InChIKeyVAEBJDXFAYCXRZ-UHFFFAOYSA-N
MW361.33 g/mol
LogP4.09
Rot. Bonds5

About 3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 169108464) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is 3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID169108464
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC Name3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCCOc1ncc(-c2nccnc2Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H14F3N5O/c1-2-26-16-23-9-11(10-24-16)14-15(22-8-7-21-14)25-13-5-3-12(4-6-13)17(18,19)20/h3-10H,2H2,1H3,(H,22,25)
InChIKeyVAEBJDXFAYCXRZ-UHFFFAOYSA-N
XLogP4.09
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethynylpyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 169108506
6-ethoxy-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80758411
5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 91324659
3-(2-prop-2-ynoxy-1,4-dihydropyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 169108264
ethyl 5-[4-[4-(trifluoromethyl)phenyl]anilino]-2H-triazole-4-carboxylate
CID 152940282
6-ethoxy-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22537253
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63735246
6-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 129133333
5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 66278412
5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 84609052
3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 59619116

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 169108464) is 3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is CCOc1ncc(-c2nccnc2Nc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is VAEBJDXFAYCXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c1-2-26-16-23-9-11(10-24-16)14-15(22-8-7-21-14)25-13-5-3-12(4-6-13)17(18,19)20/h3-10H,2H2,1H3,(H,22,25).
What are the key properties of 3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 361.33 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 169108464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).