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

C11H15ClF3N3S — CID 114188170

IUPAC6-chloro-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCCSC(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3S/c1-3-4-8-17-9(12)7(2)10(18-8)16-5-6-19-11(13,14)15/h3-6H2,1-2H3,(H,16,17,18)
InChIKeyMRXOHNANPYYTGZ-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.06
Rot. Bonds6

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

6-chloro-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (PubChem CID 114188170) has the molecular formula C11H15ClF3N3S and a molecular weight of 313.78 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
PubChem CID114188170
Molecular FormulaC11H15ClF3N3S
Molecular Weight313.78 g/mol
Exact Mass313.06
IUPAC Name6-chloro-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCCSC(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3S/c1-3-4-8-17-9(12)7(2)10(18-8)16-5-6-19-11(13,14)15/h3-6H2,1-2H3,(H,16,17,18)
InChIKeyMRXOHNANPYYTGZ-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.06
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-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (CID 114188170) is 6-chloro-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCCSC(F)(F)F)n1.
What is the InChIKey of 6-chloro-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The InChIKey is MRXOHNANPYYTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3S/c1-3-4-8-17-9(12)7(2)10(18-8)16-5-6-19-11(13,14)15/h3-6H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
6-chloro-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine has a molecular weight of 313.78 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 114188170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).