N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine

C11H16F3N3O — CID 106773628

IUPACN-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(OC(C)(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-5-15-7-6-8(18-10(2,3)4)17-9(16-7)11(12,13)14/h6H,5H2,1-4H3,(H,15,16,17)
InChIKeyMHQGNJXETWUSBN-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.10
Rot. Bonds3

About N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine

N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773628) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773628
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(OC(C)(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-5-15-7-6-8(18-10(2,3)4)17-9(16-7)11(12,13)14/h6H,5H2,1-4H3,(H,15,16,17)
InChIKeyMHQGNJXETWUSBN-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
CID 102719643
N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773598
6-cyclobutyloxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774446
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 23358672
N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774573
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 106772202
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855694
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 106772277

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773628) is N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(OC(C)(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MHQGNJXETWUSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-5-15-7-6-8(18-10(2,3)4)17-9(16-7)11(12,13)14/h6H,5H2,1-4H3,(H,15,16,17).
What are the key properties of N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).