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

C8H8F6N4S — CID 106434004

IUPAC6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCCSC(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C8H8F6N4S/c9-7(10,11)4-3-5(18-6(15)17-4)16-1-2-19-8(12,13)14/h3H,1-2H2,(H3,15,16,17,18)
InChIKeyGCDNATISKBODJI-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.74
Rot. Bonds4

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

6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 106434004) has the molecular formula C8H8F6N4S and a molecular weight of 306.24 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
PubChem CID106434004
Molecular FormulaC8H8F6N4S
Molecular Weight306.24 g/mol
Exact Mass306.04
IUPAC Name6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCCSC(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C8H8F6N4S/c9-7(10,11)4-3-5(18-6(15)17-4)16-1-2-19-8(12,13)14/h3H,1-2H2,(H3,15,16,17,18)
InChIKeyGCDNATISKBODJI-UHFFFAOYSA-N
XLogP2.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.74
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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Related Compounds

4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565117
4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565829
6-hydrazinyl-4-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
CID 106434144
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564072
4-N-[2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564151
4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563804
4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106327552
3-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 114565296
4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564036
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248871
4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106106748
2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106434022

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine (CID 106434004) is 6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine is Nc1nc(NCCSC(F)(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of 6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is GCDNATISKBODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N4S/c9-7(10,11)4-3-5(18-6(15)17-4)16-1-2-19-8(12,13)14/h3H,1-2H2,(H3,15,16,17,18).
What are the key properties of 6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine?
6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 306.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106434004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).