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

C12H17F4N3O — CID 80949759

IUPACN-ethyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C12H17F4N3O/c1-3-5-8-18-9(17-4-2)6-10(19-8)20-7-12(15,16)11(13)14/h6,11H,3-5,7H2,1-2H3,(H,17,18,19)
InChIKeyUTTXSSZYLWOUCM-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.14
Rot. Bonds8

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

N-ethyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (PubChem CID 80949759) has the molecular formula C12H17F4N3O and a molecular weight of 295.28 g/mol. Its IUPAC name is N-ethyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
PubChem CID80949759
Molecular FormulaC12H17F4N3O
Molecular Weight295.28 g/mol
Exact Mass295.13
IUPAC NameN-ethyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C12H17F4N3O/c1-3-5-8-18-9(17-4-2)6-10(19-8)20-7-12(15,16)11(13)14/h6,11H,3-5,7H2,1-2H3,(H,17,18,19)
InChIKeyUTTXSSZYLWOUCM-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.14
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-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (CID 80949759) is N-ethyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is CCCc1nc(NCC)cc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of N-ethyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The InChIKey is UTTXSSZYLWOUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4N3O/c1-3-5-8-18-9(17-4-2)6-10(19-8)20-7-12(15,16)11(13)14/h6,11H,3-5,7H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
N-ethyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine has a molecular weight of 295.28 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80949759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).