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

C10H9F8N3O — CID 2246718

IUPAC4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine
SMILESCc1cc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)nc(N)n1
InChIInChI=1S/C10H9F8N3O/c1-4-2-5(21-7(19)20-4)22-3-8(13,14)10(17,18)9(15,16)6(11)12/h2,6H,3H2,1H3,(H2,19,20,21)
InChIKeyPYLQFLPNCXPNNY-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.92
Rot. Bonds6

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

4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine (PubChem CID 2246718) has the molecular formula C10H9F8N3O and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine
PubChem CID2246718
Molecular FormulaC10H9F8N3O
Molecular Weight339.19 g/mol
Exact Mass339.06
IUPAC Name4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine
SMILESCc1cc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)nc(N)n1
InChIInChI=1S/C10H9F8N3O/c1-4-2-5(21-7(19)20-4)22-3-8(13,14)10(17,18)9(15,16)6(11)12/h2,6H,3H2,1H3,(H2,19,20,21)
InChIKeyPYLQFLPNCXPNNY-UHFFFAOYSA-N
XLogP2.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.92
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-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine (CID 2246718) is 4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine is Cc1cc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)nc(N)n1.
What is the InChIKey of 4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine?
The InChIKey is PYLQFLPNCXPNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F8N3O/c1-4-2-5(21-7(19)20-4)22-3-8(13,14)10(17,18)9(15,16)6(11)12/h2,6H,3H2,1H3,(H2,19,20,21).
What are the key properties of 4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine?
4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine has a molecular weight of 339.19 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine is sourced from PubChem (CID 2246718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).