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

C12H9F3N6S — CID 70843562

IUPAC6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCn1ccnc1-c1cc(N)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H9F3N6S/c1-21-3-2-17-10(21)6-4-8(16)20-9(18-6)11-19-7(5-22-11)12(13,14)15/h2-5H,1H3,(H2,16,18,20)
InChIKeyMCEBFLSLISYVLO-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.60
Rot. Bonds2

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

6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (PubChem CID 70843562) has the molecular formula C12H9F3N6S and a molecular weight of 326.31 g/mol. Its IUPAC name is 6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
PubChem CID70843562
Molecular FormulaC12H9F3N6S
Molecular Weight326.31 g/mol
Exact Mass326.06
IUPAC Name6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCn1ccnc1-c1cc(N)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H9F3N6S/c1-21-3-2-17-10(21)6-4-8(16)20-9(18-6)11-19-7(5-22-11)12(13,14)15/h2-5H,1H3,(H2,16,18,20)
InChIKeyMCEBFLSLISYVLO-UHFFFAOYSA-N
XLogP2.60
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (CID 70843562) is 6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is Cn1ccnc1-c1cc(N)nc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The InChIKey is MCEBFLSLISYVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6S/c1-21-3-2-17-10(21)6-4-8(16)20-9(18-6)11-19-7(5-22-11)12(13,14)15/h2-5H,1H3,(H2,16,18,20).
What are the key properties of 6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine has a molecular weight of 326.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 70843562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).