6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

C8H10F3N3OS — CID 106775017

IUPAC6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCSc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3OS/c1-15-2-3-16-6-4-5(12)13-7(14-6)8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14)
InChIKeyPFXXEDDDLJIPAM-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.82
Rot. Bonds4

About 6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775017) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775017
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCSc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3OS/c1-15-2-3-16-6-4-5(12)13-7(14-6)8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14)
InChIKeyPFXXEDDDLJIPAM-UHFFFAOYSA-N
XLogP1.82
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775017) is 6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is COCCSc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PFXXEDDDLJIPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-15-2-3-16-6-4-5(12)13-7(14-6)8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14).
What are the key properties of 6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 253.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).