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

C9H12F3N3OS — CID 106430812

IUPAC6-methoxy-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCOc1ncnc(NCCSC(F)(F)F)c1C
InChIInChI=1S/C9H12F3N3OS/c1-6-7(14-5-15-8(6)16-2)13-3-4-17-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyPPFSJHAYXNYXHE-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.46
Rot. Bonds5

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

6-methoxy-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (PubChem CID 106430812) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-methoxy-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
PubChem CID106430812
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name6-methoxy-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCOc1ncnc(NCCSC(F)(F)F)c1C
InChIInChI=1S/C9H12F3N3OS/c1-6-7(14-5-15-8(6)16-2)13-3-4-17-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyPPFSJHAYXNYXHE-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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (CID 106430812) is 6-methoxy-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is COc1ncnc(NCCSC(F)(F)F)c1C.
What is the InChIKey of 6-methoxy-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The InChIKey is PPFSJHAYXNYXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-6-7(14-5-15-8(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-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
6-methoxy-5-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-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106430812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).