4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine

C7H9F3N4O — CID 23358672

IUPAC4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
SMILESCCNc1cc(OC(F)(F)F)nc(N)n1
InChIInChI=1S/C7H9F3N4O/c1-2-12-4-3-5(14-6(11)13-4)15-7(8,9)10/h3H,2H2,1H3,(H3,11,12,13,14)
InChIKeyOYSIASGSHPUKLC-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.39
Rot. Bonds3

About 4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine

4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine (PubChem CID 23358672) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
PubChem CID23358672
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
SMILESCCNc1cc(OC(F)(F)F)nc(N)n1
InChIInChI=1S/C7H9F3N4O/c1-2-12-4-3-5(14-6(11)13-4)15-7(8,9)10/h3H,2H2,1H3,(H3,11,12,13,14)
InChIKeyOYSIASGSHPUKLC-UHFFFAOYSA-N
XLogP1.39
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine
CID 102723665
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
CID 80861882
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134
4-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidine-2,4-diamine
CID 80861815
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773628
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
4-N-ethyl-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176372
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine
CID 80870965

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine (CID 23358672) is 4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine is CCNc1cc(OC(F)(F)F)nc(N)n1.
What is the InChIKey of 4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
The InChIKey is OYSIASGSHPUKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-2-12-4-3-5(14-6(11)13-4)15-7(8,9)10/h3H,2H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine has a molecular weight of 222.17 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 23358672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).