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

C10H13F4N3O — CID 80868473

IUPACN-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(OCC(F)(F)C(F)F)c1C
InChIInChI=1S/C10H13F4N3O/c1-3-15-7-6(2)8(17-5-16-7)18-4-10(13,14)9(11)12/h5,9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyDXISPEZEMYSBGU-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.50
Rot. Bonds6

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

N-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (PubChem CID 80868473) has the molecular formula C10H13F4N3O and a molecular weight of 267.23 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
PubChem CID80868473
Molecular FormulaC10H13F4N3O
Molecular Weight267.23 g/mol
Exact Mass267.10
IUPAC NameN-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(OCC(F)(F)C(F)F)c1C
InChIInChI=1S/C10H13F4N3O/c1-3-15-7-6(2)8(17-5-16-7)18-4-10(13,14)9(11)12/h5,9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyDXISPEZEMYSBGU-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.50
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-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (CID 80868473) is N-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is CCNc1ncnc(OCC(F)(F)C(F)F)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The InChIKey is DXISPEZEMYSBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O/c1-3-15-7-6(2)8(17-5-16-7)18-4-10(13,14)9(11)12/h5,9H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
N-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine has a molecular weight of 267.23 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80868473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).