N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine

C11H16F3N3O — CID 129014326

IUPACN-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC(C)OCCNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3O/c1-3-8(2)18-5-4-15-10-16-6-9(7-17-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyZNAUXLDSCLBKMG-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.72
Rot. Bonds6

About N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine

N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 129014326) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID129014326
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC(C)OCCNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3O/c1-3-8(2)18-5-4-15-10-16-6-9(7-17-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyZNAUXLDSCLBKMG-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 129014326) is N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine is CCC(C)OCCNc1ncc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZNAUXLDSCLBKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-8(2)18-5-4-15-10-16-6-9(7-17-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 263.26 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 129014326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).