6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine

C11H16F3N3O — CID 113327811

IUPAC6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
SMILESCOc1ncnc(NCCCCC(F)(F)F)c1C
InChIInChI=1S/C11H16F3N3O/c1-8-9(16-7-17-10(8)18-2)15-6-4-3-5-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyKVXTWUVJUJQMEE-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.94
Rot. Bonds6

About 6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine

6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine (PubChem CID 113327811) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
PubChem CID113327811
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
SMILESCOc1ncnc(NCCCCC(F)(F)F)c1C
InChIInChI=1S/C11H16F3N3O/c1-8-9(16-7-17-10(8)18-2)15-6-4-3-5-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyKVXTWUVJUJQMEE-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine (CID 113327811) is 6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine is COc1ncnc(NCCCCC(F)(F)F)c1C.
What is the InChIKey of 6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine?
The InChIKey is KVXTWUVJUJQMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-8-9(16-7-17-10(8)18-2)15-6-4-3-5-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine?
6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine is sourced from PubChem (CID 113327811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).