6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine

C13H10F3N5S2 — CID 70843564

IUPAC6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCc1nc(-c2cc(N)nc(-c3nc(C(F)(F)F)cs3)n2)sc1C
InChIInChI=1S/C13H10F3N5S2/c1-5-6(2)23-11(18-5)7-3-9(17)21-10(19-7)12-20-8(4-22-12)13(14,15)16/h3-4H,1-2H3,(H2,17,19,21)
InChIKeyRYOXPCRKQRUHRO-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.94
Rot. Bonds2

About 6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine

6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (PubChem CID 70843564) has the molecular formula C13H10F3N5S2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
PubChem CID70843564
Molecular FormulaC13H10F3N5S2
Molecular Weight357.39 g/mol
Exact Mass357.03
IUPAC Name6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCc1nc(-c2cc(N)nc(-c3nc(C(F)(F)F)cs3)n2)sc1C
InChIInChI=1S/C13H10F3N5S2/c1-5-6(2)23-11(18-5)7-3-9(17)21-10(19-7)12-20-8(4-22-12)13(14,15)16/h3-4H,1-2H3,(H2,17,19,21)
InChIKeyRYOXPCRKQRUHRO-UHFFFAOYSA-N
XLogP3.94
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (CID 70843564) is 6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is Cc1nc(-c2cc(N)nc(-c3nc(C(F)(F)F)cs3)n2)sc1C.
What is the InChIKey of 6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The InChIKey is RYOXPCRKQRUHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5S2/c1-5-6(2)23-11(18-5)7-3-9(17)21-10(19-7)12-20-8(4-22-12)13(14,15)16/h3-4H,1-2H3,(H2,17,19,21).
What are the key properties of 6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine has a molecular weight of 357.39 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 70843564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).