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

C12H13F3N4OS — CID 106773708

IUPACN-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OCCc2scnc2C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N4OS/c1-7-8(21-6-17-7)3-4-20-10-5-9(16-2)18-11(19-10)12(13,14)15/h5-6H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyXXQZLYYJZLAERX-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.92
Rot. Bonds5

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

N-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773708) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is N-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773708
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC NameN-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OCCc2scnc2C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N4OS/c1-7-8(21-6-17-7)3-4-20-10-5-9(16-2)18-11(19-10)12(13,14)15/h5-6H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyXXQZLYYJZLAERX-UHFFFAOYSA-N
XLogP2.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773708) is N-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(OCCc2scnc2C)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XXQZLYYJZLAERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-7-8(21-6-17-7)3-4-20-10-5-9(16-2)18-11(19-10)12(13,14)15/h5-6H,3-4H2,1-2H3,(H,16,18,19).
What are the key properties of N-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 318.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).