6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

C10H13ClF3N3S — CID 114188161

IUPAC6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCSC(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3S/c1-3-7-16-8(11)6(2)9(17-7)15-4-5-18-10(12,13)14/h3-5H2,1-2H3,(H,15,16,17)
InChIKeyPHNXJMJLNXVXQP-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.67
Rot. Bonds5

About 6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (PubChem CID 114188161) has the molecular formula C10H13ClF3N3S and a molecular weight of 299.75 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
PubChem CID114188161
Molecular FormulaC10H13ClF3N3S
Molecular Weight299.75 g/mol
Exact Mass299.05
IUPAC Name6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCSC(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3S/c1-3-7-16-8(11)6(2)9(17-7)15-4-5-18-10(12,13)14/h3-5H2,1-2H3,(H,15,16,17)
InChIKeyPHNXJMJLNXVXQP-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.67
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-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (CID 114188161) is 6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCCSC(F)(F)F)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The InChIKey is PHNXJMJLNXVXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3S/c1-3-7-16-8(11)6(2)9(17-7)15-4-5-18-10(12,13)14/h3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine has a molecular weight of 299.75 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 114188161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).