6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

C10H13BrF3N3S — CID 106432059

IUPAC6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCC(C)c1nc(Br)cc(NCCSC(F)(F)F)n1
InChIInChI=1S/C10H13BrF3N3S/c1-6(2)9-16-7(11)5-8(17-9)15-3-4-18-10(12,13)14/h5-6H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyMTVBEQPICQQIMF-UHFFFAOYSA-N
MW344.20 g/mol
LogP4.03
Rot. Bonds5

About 6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (PubChem CID 106432059) has the molecular formula C10H13BrF3N3S and a molecular weight of 344.20 g/mol. Its IUPAC name is 6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
PubChem CID106432059
Molecular FormulaC10H13BrF3N3S
Molecular Weight344.20 g/mol
Exact Mass343.00
IUPAC Name6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCC(C)c1nc(Br)cc(NCCSC(F)(F)F)n1
InChIInChI=1S/C10H13BrF3N3S/c1-6(2)9-16-7(11)5-8(17-9)15-3-4-18-10(12,13)14/h5-6H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyMTVBEQPICQQIMF-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.03
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-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (CID 106432059) is 6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is CC(C)c1nc(Br)cc(NCCSC(F)(F)F)n1.
What is the InChIKey of 6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The InChIKey is MTVBEQPICQQIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3S/c1-6(2)9-16-7(11)5-8(17-9)15-3-4-18-10(12,13)14/h5-6H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine has a molecular weight of 344.20 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106432059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).