4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine

C11H16F3N3O2 — CID 114566154

IUPAC4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCCOCCOc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H16F3N3O2/c1-2-3-4-18-5-6-19-9-7-8(11(12,13)14)16-10(15)17-9/h7H,2-6H2,1H3,(H2,15,16,17)
InChIKeyHCHIJKQTWRSFLA-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.27
Rot. Bonds7

About 4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine

4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566154) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566154
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCCOCCOc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H16F3N3O2/c1-2-3-4-18-5-6-19-9-7-8(11(12,13)14)16-10(15)17-9/h7H,2-6H2,1H3,(H2,15,16,17)
InChIKeyHCHIJKQTWRSFLA-UHFFFAOYSA-N
XLogP2.27
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.27
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-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566154) is 4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine is CCCCOCCOc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HCHIJKQTWRSFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-2-3-4-18-5-6-19-9-7-8(11(12,13)14)16-10(15)17-9/h7H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of 4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 279.26 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).