2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol

C15H16F3N3O2 — CID 138385184

IUPAC2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol
SMILESCCc1cc(-c2cc(OC(F)(F)F)ccc2O)nc(N(C)C)n1
InChIInChI=1S/C15H16F3N3O2/c1-4-9-7-12(20-14(19-9)21(2)3)11-8-10(5-6-13(11)22)23-15(16,17)18/h5-8,22H,4H2,1-3H3
InChIKeyOMYOUIXVTAXRLN-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.38
Rot. Bonds4

About 2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol

2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol (PubChem CID 138385184) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol
PubChem CID138385184
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol
SMILESCCc1cc(-c2cc(OC(F)(F)F)ccc2O)nc(N(C)C)n1
InChIInChI=1S/C15H16F3N3O2/c1-4-9-7-12(20-14(19-9)21(2)3)11-8-10(5-6-13(11)22)23-15(16,17)18/h5-8,22H,4H2,1-3H3
InChIKeyOMYOUIXVTAXRLN-UHFFFAOYSA-N
XLogP3.38
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol
CID 137341422
2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol
CID 137340116
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 91967663
2-ethyl-4-(trifluoromethoxy)pyridine
CID 166104066
2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
CID 11694149
2-[4-[[(2R)-2-amino-3-methylbutyl]amino]quinazolin-2-yl]-4-(trifluoromethoxy)phenol
CID 135898934
2-(2-aminopropyl)-4-(trifluoromethoxy)phenol
CID 170890931
5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide
CID 137345621
2-hydroxy-5-(trifluoromethoxy)benzonitrile
CID 24721643
N-methyl-5-(trifluoromethoxy)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 133490362
2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine
CID 144912474
N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine
CID 82252178

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol?
The IUPAC name of 2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol (CID 138385184) is 2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol?
The canonical SMILES for 2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol is CCc1cc(-c2cc(OC(F)(F)F)ccc2O)nc(N(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol?
The InChIKey is OMYOUIXVTAXRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-4-9-7-12(20-14(19-9)21(2)3)11-8-10(5-6-13(11)22)23-15(16,17)18/h5-8,22H,4H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol?
2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol has a molecular weight of 327.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 138385184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).