6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine

C13H8F6N6S — CID 89023717

IUPAC6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCn1cc(-c2cc(N)nc(-c3nc(C(F)(F)F)cs3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C13H8F6N6S/c1-25-3-5(9(24-25)13(17,18)19)6-2-8(20)23-10(21-6)11-22-7(4-26-11)12(14,15)16/h2-4H,1H3,(H2,20,21,23)
InChIKeyTYNNNLCPEWPWCO-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.62
Rot. Bonds2

About 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine

6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (PubChem CID 89023717) has the molecular formula C13H8F6N6S and a molecular weight of 394.30 g/mol. Its IUPAC name is 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
PubChem CID89023717
Molecular FormulaC13H8F6N6S
Molecular Weight394.30 g/mol
Exact Mass394.04
IUPAC Name6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCn1cc(-c2cc(N)nc(-c3nc(C(F)(F)F)cs3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C13H8F6N6S/c1-25-3-5(9(24-25)13(17,18)19)6-2-8(20)23-10(21-6)11-22-7(4-26-11)12(14,15)16/h2-4H,1H3,(H2,20,21,23)
InChIKeyTYNNNLCPEWPWCO-UHFFFAOYSA-N
XLogP3.62
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (CID 89023717) is 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is Cn1cc(-c2cc(N)nc(-c3nc(C(F)(F)F)cs3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The InChIKey is TYNNNLCPEWPWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N6S/c1-25-3-5(9(24-25)13(17,18)19)6-2-8(20)23-10(21-6)11-22-7(4-26-11)12(14,15)16/h2-4H,1H3,(H2,20,21,23).
What are the key properties of 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine has a molecular weight of 394.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 89023717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).