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

C8H9F4N3O — CID 3764410

IUPAC4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
SMILESCc1cc(OCC(F)(F)C(F)F)nc(N)n1
InChIInChI=1S/C8H9F4N3O/c1-4-2-5(15-7(13)14-4)16-3-8(11,12)6(9)10/h2,6H,3H2,1H3,(H2,13,14,15)
InChIKeyLINFWRSKANADEH-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.65
Rot. Bonds4

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

4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine (PubChem CID 3764410) has the molecular formula C8H9F4N3O and a molecular weight of 239.17 g/mol. Its IUPAC name is 4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
PubChem CID3764410
Molecular FormulaC8H9F4N3O
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC Name4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
SMILESCc1cc(OCC(F)(F)C(F)F)nc(N)n1
InChIInChI=1S/C8H9F4N3O/c1-4-2-5(15-7(13)14-4)16-3-8(11,12)6(9)10/h2,6H,3H2,1H3,(H2,13,14,15)
InChIKeyLINFWRSKANADEH-UHFFFAOYSA-N
XLogP1.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.65
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 4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine (CID 3764410) is 4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine is Cc1cc(OCC(F)(F)C(F)F)nc(N)n1.
What is the InChIKey of 4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
The InChIKey is LINFWRSKANADEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O/c1-4-2-5(15-7(13)14-4)16-3-8(11,12)6(9)10/h2,6H,3H2,1H3,(H2,13,14,15).
What are the key properties of 4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine has a molecular weight of 239.17 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine is sourced from PubChem (CID 3764410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).