2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine

C11H11F3N4S — CID 146143654

IUPAC2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine
SMILESCc1ncc(C)c(NCc2csc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H11F3N4S/c1-6-3-15-7(2)17-9(6)16-4-8-5-19-10(18-8)11(12,13)14/h3,5H,4H2,1-2H3,(H,15,16,17)
InChIKeyNMBQTDOPDXREFI-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.18
Rot. Bonds3

About 2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine

2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine (PubChem CID 146143654) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine
PubChem CID146143654
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine
SMILESCc1ncc(C)c(NCc2csc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H11F3N4S/c1-6-3-15-7(2)17-9(6)16-4-8-5-19-10(18-8)11(12,13)14/h3,5H,4H2,1-2H3,(H,15,16,17)
InChIKeyNMBQTDOPDXREFI-UHFFFAOYSA-N
XLogP3.18
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine (CID 146143654) is 2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine is Cc1ncc(C)c(NCc2csc(C(F)(F)F)n2)n1.
What is the InChIKey of 2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is NMBQTDOPDXREFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-6-3-15-7(2)17-9(6)16-4-8-5-19-10(18-8)11(12,13)14/h3,5H,4H2,1-2H3,(H,15,16,17).
What are the key properties of 2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine?
2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 288.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 146143654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).