6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H8Cl2F3N3S — CID 106767330

IUPAC6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)s1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H8Cl2F3N3S/c1-19(5-6-2-3-8(13)20-6)9-4-7(12)17-10(18-9)11(14,15)16/h2-4H,5H2,1H3
InChIKeyWXIXJPMVGWCXGI-UHFFFAOYSA-N
MW342.17 g/mol
LogP4.50
Rot. Bonds3

About 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767330) has the molecular formula C11H8Cl2F3N3S and a molecular weight of 342.17 g/mol. Its IUPAC name is 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767330
Molecular FormulaC11H8Cl2F3N3S
Molecular Weight342.17 g/mol
Exact Mass340.98
IUPAC Name6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)s1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H8Cl2F3N3S/c1-19(5-6-2-3-8(13)20-6)9-4-7(12)17-10(18-9)11(14,15)16/h2-4H,5H2,1H3
InChIKeyWXIXJPMVGWCXGI-UHFFFAOYSA-N
XLogP4.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767330) is 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CN(Cc1ccc(Cl)s1)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WXIXJPMVGWCXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3S/c1-19(5-6-2-3-8(13)20-6)9-4-7(12)17-10(18-9)11(14,15)16/h2-4H,5H2,1H3.
What are the key properties of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 342.17 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).