N-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine

C8H10F3N3S — CID 60731803

IUPACN-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCSCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3S/c1-15-5-4-13-7-12-3-2-6(14-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,13,14)
InChIKeyXCXDPUXHJSERQA-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.27
Rot. Bonds4

About N-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 60731803) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID60731803
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC NameN-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCSCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3S/c1-15-5-4-13-7-12-3-2-6(14-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,13,14)
InChIKeyXCXDPUXHJSERQA-UHFFFAOYSA-N
XLogP2.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 60731803) is N-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine is CSCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XCXDPUXHJSERQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c1-15-5-4-13-7-12-3-2-6(14-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,13,14).
What are the key properties of N-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 237.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 60731803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).