5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine

C10H13F3N2S — CID 126480838

IUPAC5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine
SMILESCCC(C)(C)Sc1cncnc1C(F)(F)F
InChIInChI=1S/C10H13F3N2S/c1-4-9(2,3)16-7-5-14-6-15-8(7)10(11,12)13/h5-6H,4H2,1-3H3
InChIKeyTXDQNLVNCKIKCN-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.78
Rot. Bonds3

About 5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine

5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine (PubChem CID 126480838) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine
PubChem CID126480838
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine
SMILESCCC(C)(C)Sc1cncnc1C(F)(F)F
InChIInChI=1S/C10H13F3N2S/c1-4-9(2,3)16-7-5-14-6-15-8(7)10(11,12)13/h5-6H,4H2,1-3H3
InChIKeyTXDQNLVNCKIKCN-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine (CID 126480838) is 5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine is CCC(C)(C)Sc1cncnc1C(F)(F)F.
What is the InChIKey of 5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is TXDQNLVNCKIKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c1-4-9(2,3)16-7-5-14-6-15-8(7)10(11,12)13/h5-6H,4H2,1-3H3.
What are the key properties of 5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine?
5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 250.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 126480838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).