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

C8H8BrF4N3O — CID 1379281

IUPAC5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
SMILESCc1nc(N)nc(OCC(F)(F)C(F)F)c1Br
InChIInChI=1S/C8H8BrF4N3O/c1-3-4(9)5(16-7(14)15-3)17-2-8(12,13)6(10)11/h6H,2H2,1H3,(H2,14,15,16)
InChIKeySDNZUJVGLDNXCM-UHFFFAOYSA-N
MW318.07 g/mol
LogP2.41
Rot. Bonds4

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

5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine (PubChem CID 1379281) has the molecular formula C8H8BrF4N3O and a molecular weight of 318.07 g/mol. Its IUPAC name is 5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
PubChem CID1379281
Molecular FormulaC8H8BrF4N3O
Molecular Weight318.07 g/mol
Exact Mass316.98
IUPAC Name5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
SMILESCc1nc(N)nc(OCC(F)(F)C(F)F)c1Br
InChIInChI=1S/C8H8BrF4N3O/c1-3-4(9)5(16-7(14)15-3)17-2-8(12,13)6(10)11/h6H,2H2,1H3,(H2,14,15,16)
InChIKeySDNZUJVGLDNXCM-UHFFFAOYSA-N
XLogP2.41
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.07
LogP ≤ 52.41
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 5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine (CID 1379281) is 5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine is Cc1nc(N)nc(OCC(F)(F)C(F)F)c1Br.
What is the InChIKey of 5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
The InChIKey is SDNZUJVGLDNXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF4N3O/c1-3-4(9)5(16-7(14)15-3)17-2-8(12,13)6(10)11/h6H,2H2,1H3,(H2,14,15,16).
What are the key properties of 5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine has a molecular weight of 318.07 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine is sourced from PubChem (CID 1379281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).