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

C9H7F3N4S — CID 63020197

IUPAC2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCc1ncc(-c2nc(C(F)(F)F)cs2)c(N)n1
InChIInChI=1S/C9H7F3N4S/c1-4-14-2-5(7(13)15-4)8-16-6(3-17-8)9(10,11)12/h2-3H,1H3,(H2,13,14,15)
InChIKeyCTRUNBJXVGBISE-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.51
Rot. Bonds1

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

2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (PubChem CID 63020197) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
PubChem CID63020197
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Name2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCc1ncc(-c2nc(C(F)(F)F)cs2)c(N)n1
InChIInChI=1S/C9H7F3N4S/c1-4-14-2-5(7(13)15-4)8-16-6(3-17-8)9(10,11)12/h2-3H,1H3,(H2,13,14,15)
InChIKeyCTRUNBJXVGBISE-UHFFFAOYSA-N
XLogP2.51
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (CID 63020197) is 2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is Cc1ncc(-c2nc(C(F)(F)F)cs2)c(N)n1.
What is the InChIKey of 2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The InChIKey is CTRUNBJXVGBISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S/c1-4-14-2-5(7(13)15-4)8-16-6(3-17-8)9(10,11)12/h2-3H,1H3,(H2,13,14,15).
What are the key properties of 2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine has a molecular weight of 260.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 63020197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).