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

C12H15F4N3O — CID 80965930

IUPAC2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCC(F)(F)C(F)F)nc(C2CC2)n1
InChIInChI=1S/C12H15F4N3O/c1-2-17-8-5-9(19-10(18-8)7-3-4-7)20-6-12(15,16)11(13)14/h5,7,11H,2-4,6H2,1H3,(H,17,18,19)
InChIKeyJPAIYKKXIFHHKR-UHFFFAOYSA-N
MW293.26 g/mol
LogP3.07
Rot. Bonds7

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

2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (PubChem CID 80965930) has the molecular formula C12H15F4N3O and a molecular weight of 293.26 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
PubChem CID80965930
Molecular FormulaC12H15F4N3O
Molecular Weight293.26 g/mol
Exact Mass293.12
IUPAC Name2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCC(F)(F)C(F)F)nc(C2CC2)n1
InChIInChI=1S/C12H15F4N3O/c1-2-17-8-5-9(19-10(18-8)7-3-4-7)20-6-12(15,16)11(13)14/h5,7,11H,2-4,6H2,1H3,(H,17,18,19)
InChIKeyJPAIYKKXIFHHKR-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80956887
2-cyclopropyl-N-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794820
6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80966700
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
CID 114471097
2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine
CID 103408531
6-cyclohexyloxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965359
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240401
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965855
2-cyclopropyl-N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 80965957
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (CID 80965930) is 2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is CCNc1cc(OCC(F)(F)C(F)F)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The InChIKey is JPAIYKKXIFHHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N3O/c1-2-17-8-5-9(19-10(18-8)7-3-4-7)20-6-12(15,16)11(13)14/h5,7,11H,2-4,6H2,1H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine has a molecular weight of 293.26 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80965930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).