6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C11H12F3N5S — CID 106771927

IUPAC6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2nccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5S/c1-15-7-6-8(19-10(18-7)11(12,13)14)16-3-2-9-17-4-5-20-9/h4-6H,2-3H2,1H3,(H2,15,16,18,19)
InChIKeyGWUIINVTFXLOAR-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.65
Rot. Bonds5

About 6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771927) has the molecular formula C11H12F3N5S and a molecular weight of 303.31 g/mol. Its IUPAC name is 6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771927
Molecular FormulaC11H12F3N5S
Molecular Weight303.31 g/mol
Exact Mass303.08
IUPAC Name6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2nccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5S/c1-15-7-6-8(19-10(18-7)11(12,13)14)16-3-2-9-17-4-5-20-9/h4-6H,2-3H2,1H3,(H2,15,16,18,19)
InChIKeyGWUIINVTFXLOAR-UHFFFAOYSA-N
XLogP2.65
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771927) is 6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NCCc2nccs2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is GWUIINVTFXLOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5S/c1-15-7-6-8(19-10(18-7)11(12,13)14)16-3-2-9-17-4-5-20-9/h4-6H,2-3H2,1H3,(H2,15,16,18,19).
What are the key properties of 6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 303.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).