N-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H14F3N3OS — CID 106775019

IUPACN-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(SCCOC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3OS/c1-3-14-7-6-8(18-5-4-17-2)16-9(15-7)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyDZCNRGGOSZGHNJ-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.67
Rot. Bonds6

About N-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

N-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775019) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is N-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775019
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC NameN-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(SCCOC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3OS/c1-3-14-7-6-8(18-5-4-17-2)16-9(15-7)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyDZCNRGGOSZGHNJ-UHFFFAOYSA-N
XLogP2.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.67
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 N-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775019) is N-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(SCCOC)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DZCNRGGOSZGHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-3-14-7-6-8(18-5-4-17-2)16-9(15-7)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 281.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methoxyethylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).