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

C11H15F4N3O — CID 80867714

IUPACN-ethyl-2,5-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCNc1nc(C)nc(OCC(F)(F)C(F)F)c1C
InChIInChI=1S/C11H15F4N3O/c1-4-16-8-6(2)9(18-7(3)17-8)19-5-11(14,15)10(12)13/h10H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyNLMIRRVAHDWUPX-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.80
Rot. Bonds6

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

N-ethyl-2,5-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (PubChem CID 80867714) has the molecular formula C11H15F4N3O and a molecular weight of 281.25 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
PubChem CID80867714
Molecular FormulaC11H15F4N3O
Molecular Weight281.25 g/mol
Exact Mass281.12
IUPAC NameN-ethyl-2,5-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCNc1nc(C)nc(OCC(F)(F)C(F)F)c1C
InChIInChI=1S/C11H15F4N3O/c1-4-16-8-6(2)9(18-7(3)17-8)19-5-11(14,15)10(12)13/h10H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyNLMIRRVAHDWUPX-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.80
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-tetrafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (CID 80867714) is N-ethyl-2,5-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is CCNc1nc(C)nc(OCC(F)(F)C(F)F)c1C.
What is the InChIKey of N-ethyl-2,5-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The InChIKey is NLMIRRVAHDWUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O/c1-4-16-8-6(2)9(18-7(3)17-8)19-5-11(14,15)10(12)13/h10H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-2,5-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
N-ethyl-2,5-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine has a molecular weight of 281.25 g/mol, XLogP of 2.80, 6 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-tetrafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80867714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).