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

C11H16F3N3O — CID 106774837

IUPAC6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCC(C)COc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-3-4-7(2)6-18-9-5-8(15)16-10(17-9)11(12,13)14/h5,7H,3-4,6H2,1-2H3,(H2,15,16,17)
InChIKeyOIBKICRXUIUWRL-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.89
Rot. Bonds5

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

6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774837) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774837
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCC(C)COc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-3-4-7(2)6-18-9-5-8(15)16-10(17-9)11(12,13)14/h5,7H,3-4,6H2,1-2H3,(H2,15,16,17)
InChIKeyOIBKICRXUIUWRL-UHFFFAOYSA-N
XLogP2.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774837) is 6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine is CCCC(C)COc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OIBKICRXUIUWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-4-7(2)6-18-9-5-8(15)16-10(17-9)11(12,13)14/h5,7H,3-4,6H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).