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

C9H12F3N3OS — CID 106431054

IUPAC6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(NCCSC(F)(F)F)nc(C)n1
InChIInChI=1S/C9H12F3N3OS/c1-6-14-7(5-8(15-6)16-2)13-3-4-17-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyWYCSNOLSSZJOMM-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.46
Rot. Bonds5

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

6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (PubChem CID 106431054) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
PubChem CID106431054
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(NCCSC(F)(F)F)nc(C)n1
InChIInChI=1S/C9H12F3N3OS/c1-6-14-7(5-8(15-6)16-2)13-3-4-17-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyWYCSNOLSSZJOMM-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106434022
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
6-methoxy-2-methyl-N-octylpyrimidin-4-amine
CID 113337456
1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
CID 106127472
6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432146
2-(methoxymethyl)-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433968
N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 114942912
2-methyl-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842336
6-bromo-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432059
6-N-ethyl-2-propan-2-yl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433946
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66332895

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (CID 106431054) is 6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is COc1cc(NCCSC(F)(F)F)nc(C)n1.
What is the InChIKey of 6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The InChIKey is WYCSNOLSSZJOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-6-14-7(5-8(15-6)16-2)13-3-4-17-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine has a molecular weight of 267.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106431054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).