6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

C11H15BrF3N3S — CID 106432146

IUPAC6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Br)cc(NCCSC(F)(F)F)n1
InChIInChI=1S/C11H15BrF3N3S/c1-10(2,3)9-17-7(12)6-8(18-9)16-4-5-19-11(13,14)15/h6H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyQIIBPVARVYFLHX-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.20
Rot. Bonds4

About 6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (PubChem CID 106432146) has the molecular formula C11H15BrF3N3S and a molecular weight of 358.23 g/mol. Its IUPAC name is 6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
PubChem CID106432146
Molecular FormulaC11H15BrF3N3S
Molecular Weight358.23 g/mol
Exact Mass357.01
IUPAC Name6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Br)cc(NCCSC(F)(F)F)n1
InChIInChI=1S/C11H15BrF3N3S/c1-10(2,3)9-17-7(12)6-8(18-9)16-4-5-19-11(13,14)15/h6H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyQIIBPVARVYFLHX-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.20
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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Related Compounds

6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432059
3-[2-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 114172004
2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106434022
6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106431054
6-N-ethyl-2-propan-2-yl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433946
6-N-methyl-2-methylsulfanyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433976
2-methyl-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842336
6-bromo-2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine
CID 106193958
6-methyl-2-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106433956
6-hydrazinyl-4-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
CID 106434144
6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106434004
2-(methoxymethyl)-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433968

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (CID 106432146) is 6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is CC(C)(C)c1nc(Br)cc(NCCSC(F)(F)F)n1.
What is the InChIKey of 6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The InChIKey is QIIBPVARVYFLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3N3S/c1-10(2,3)9-17-7(12)6-8(18-9)16-4-5-19-11(13,14)15/h6H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of 6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine has a molecular weight of 358.23 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106432146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).