N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine

C11H14F5N3O — CID 80877240

IUPACN-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
SMILESCCNc1nc(C)nc(OCC(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C11H14F5N3O/c1-4-17-8-6(2)9(19-7(3)18-8)20-5-10(12,13)11(14,15)16/h4-5H2,1-3H3,(H,17,18,19)
InChIKeyVDQREAGMLIIATO-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.10
Rot. Bonds5

About N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine

N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine (PubChem CID 80877240) has the molecular formula C11H14F5N3O and a molecular weight of 299.24 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
PubChem CID80877240
Molecular FormulaC11H14F5N3O
Molecular Weight299.24 g/mol
Exact Mass299.11
IUPAC NameN-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
SMILESCCNc1nc(C)nc(OCC(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C11H14F5N3O/c1-4-17-8-6(2)9(19-7(3)18-8)20-5-10(12,13)11(14,15)16/h4-5H2,1-3H3,(H,17,18,19)
InChIKeyVDQREAGMLIIATO-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine (CID 80877240) is N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine is CCNc1nc(C)nc(OCC(F)(F)C(F)(F)F)c1C.
What is the InChIKey of N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The InChIKey is VDQREAGMLIIATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F5N3O/c1-4-17-8-6(2)9(19-7(3)18-8)20-5-10(12,13)11(14,15)16/h4-5H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine has a molecular weight of 299.24 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80877240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).