6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H9ClF3N3S — CID 106767193

IUPAC6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(Cc1cccs1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H9ClF3N3S/c1-18(6-7-3-2-4-19-7)9-5-8(12)16-10(17-9)11(13,14)15/h2-5H,6H2,1H3
InChIKeySOLKVPZZJOZABS-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.85
Rot. Bonds3

About 6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767193) has the molecular formula C11H9ClF3N3S and a molecular weight of 307.73 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767193
Molecular FormulaC11H9ClF3N3S
Molecular Weight307.73 g/mol
Exact Mass307.02
IUPAC Name6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(Cc1cccs1)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H9ClF3N3S/c1-18(6-7-3-2-4-19-7)9-5-8(12)16-10(17-9)11(13,14)15/h2-5H,6H2,1H3
InChIKeySOLKVPZZJOZABS-UHFFFAOYSA-N
XLogP3.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767193) is 6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is CN(Cc1cccs1)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SOLKVPZZJOZABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3S/c1-18(6-7-3-2-4-19-7)9-5-8(12)16-10(17-9)11(13,14)15/h2-5H,6H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 307.73 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).