4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C10H14F3N3O2 — CID 114566199

IUPAC4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCOCCOc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C10H14F3N3O2/c1-3-17-4-5-18-8-6-7(10(11,12)13)15-9(14-2)16-8/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyPZKXRRSGYLRTIN-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.95
Rot. Bonds6

About 4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566199) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566199
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCOCCOc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C10H14F3N3O2/c1-3-17-4-5-18-8-6-7(10(11,12)13)15-9(14-2)16-8/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyPZKXRRSGYLRTIN-UHFFFAOYSA-N
XLogP1.95
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566199) is 4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CCOCCOc1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is PZKXRRSGYLRTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-3-17-4-5-18-8-6-7(10(11,12)13)15-9(14-2)16-8/h6H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 265.23 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).