2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine

C11H17F3N4S — CID 106433964

IUPAC2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCCSC(F)(F)F)n1
InChIInChI=1S/C11H17F3N4S/c1-4-8-17-9(15-3)7(2)10(18-8)16-5-6-19-11(12,13)14/h4-6H2,1-3H3,(H2,15,16,17,18)
InChIKeyDOGHPGDSSITJEB-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.05
Rot. Bonds6

About 2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine

2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 106433964) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
PubChem CID106433964
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCCSC(F)(F)F)n1
InChIInChI=1S/C11H17F3N4S/c1-4-8-17-9(15-3)7(2)10(18-8)16-5-6-19-11(12,13)14/h4-6H2,1-3H3,(H2,15,16,17,18)
InChIKeyDOGHPGDSSITJEB-UHFFFAOYSA-N
XLogP3.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
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 2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine (CID 106433964) is 2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(NCCSC(F)(F)F)n1.
What is the InChIKey of 2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is DOGHPGDSSITJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-4-8-17-9(15-3)7(2)10(18-8)16-5-6-19-11(12,13)14/h4-6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine?
2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 294.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N,5-dimethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106433964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).