4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine

C7H8ClF2N3O2 — CID 23358668

IUPAC4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine
SMILESCCOc1cc(OC(F)(F)Cl)nc(N)n1
InChIInChI=1S/C7H8ClF2N3O2/c1-2-14-4-3-5(13-6(11)12-4)15-7(8,9)10/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyRULZTIPIBDMYBR-UHFFFAOYSA-N
MW239.61 g/mol
LogP1.63
Rot. Bonds4

About 4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine

4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine (PubChem CID 23358668) has the molecular formula C7H8ClF2N3O2 and a molecular weight of 239.61 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine
PubChem CID23358668
Molecular FormulaC7H8ClF2N3O2
Molecular Weight239.61 g/mol
Exact Mass239.03
IUPAC Name4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine
SMILESCCOc1cc(OC(F)(F)Cl)nc(N)n1
InChIInChI=1S/C7H8ClF2N3O2/c1-2-14-4-3-5(13-6(11)12-4)15-7(8,9)10/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyRULZTIPIBDMYBR-UHFFFAOYSA-N
XLogP1.63
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.61
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine (CID 23358668) is 4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine is CCOc1cc(OC(F)(F)Cl)nc(N)n1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine?
The InChIKey is RULZTIPIBDMYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N3O2/c1-2-14-4-3-5(13-6(11)12-4)15-7(8,9)10/h3H,2H2,1H3,(H2,11,12,13).
What are the key properties of 4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine?
4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine has a molecular weight of 239.61 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(difluoro)methoxy]-6-ethoxypyrimidin-2-amine is sourced from PubChem (CID 23358668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).