N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine

C14H14F3N3O — CID 80874519

IUPACN-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCCNc1cc(Oc2cccc(C(F)(F)F)c2)nc(C)n1
InChIInChI=1S/C14H14F3N3O/c1-3-18-12-8-13(20-9(2)19-12)21-11-6-4-5-10(7-11)14(15,16)17/h4-8H,3H2,1-2H3,(H,18,19,20)
InChIKeyBSPKNNIQEFPYRS-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.03
Rot. Bonds4

About N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine

N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine (PubChem CID 80874519) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
PubChem CID80874519
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCCNc1cc(Oc2cccc(C(F)(F)F)c2)nc(C)n1
InChIInChI=1S/C14H14F3N3O/c1-3-18-12-8-13(20-9(2)19-12)21-11-6-4-5-10(7-11)14(15,16)17/h4-8H,3H2,1-2H3,(H,18,19,20)
InChIKeyBSPKNNIQEFPYRS-UHFFFAOYSA-N
XLogP4.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorophenoxy)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719846
6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 82718288
6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881036
N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80867147
N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine
CID 80880083
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
N-ethyl-6-(4-iodophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719878
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine
CID 80874583
N-ethyl-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine
CID 103176355
6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine
CID 80966382

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine (CID 80874519) is N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine is CCNc1cc(Oc2cccc(C(F)(F)F)c2)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The InChIKey is BSPKNNIQEFPYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-3-18-12-8-13(20-9(2)19-12)21-11-6-4-5-10(7-11)14(15,16)17/h4-8H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine has a molecular weight of 297.28 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 80874519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).