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

C8H11F3N4O — CID 23358676

IUPAC4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
SMILESCCNc1cc(OC(F)(F)F)nc(NC)n1
InChIInChI=1S/C8H11F3N4O/c1-3-13-5-4-6(16-8(9,10)11)15-7(12-2)14-5/h4H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyXQQDIJGQCASWEC-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.85
Rot. Bonds4

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

4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine (PubChem CID 23358676) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
PubChem CID23358676
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
SMILESCCNc1cc(OC(F)(F)F)nc(NC)n1
InChIInChI=1S/C8H11F3N4O/c1-3-13-5-4-6(16-8(9,10)11)15-7(12-2)14-5/h4H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyXQQDIJGQCASWEC-UHFFFAOYSA-N
XLogP1.85
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine (CID 23358676) is 4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine is CCNc1cc(OC(F)(F)F)nc(NC)n1.
What is the InChIKey of 4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
The InChIKey is XQQDIJGQCASWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-3-13-5-4-6(16-8(9,10)11)15-7(12-2)14-5/h4H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine has a molecular weight of 236.20 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 23358676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).