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

C8H5F3N4S — CID 2823377

IUPAC4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(-c2nccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C8H5F3N4S/c9-8(10,11)5-3-4(14-7(12)15-5)6-13-1-2-16-6/h1-3H,(H2,12,14,15)
InChIKeyFQHHUVFTVKGTIR-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.20
Rot. Bonds1

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

4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2823377) has the molecular formula C8H5F3N4S and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2823377
Molecular FormulaC8H5F3N4S
Molecular Weight246.22 g/mol
Exact Mass246.02
IUPAC Name4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(-c2nccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C8H5F3N4S/c9-8(10,11)5-3-4(14-7(12)15-5)6-13-1-2-16-6/h1-3H,(H2,12,14,15)
InChIKeyFQHHUVFTVKGTIR-UHFFFAOYSA-N
XLogP2.20
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 2823377) is 4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(-c2nccs2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FQHHUVFTVKGTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4S/c9-8(10,11)5-3-4(14-7(12)15-5)6-13-1-2-16-6/h1-3H,(H2,12,14,15).
What are the key properties of 4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 246.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2823377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).