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

C16H11F4N3S — CID 2052763

IUPAC4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)cc1
InChIInChI=1S/C16H11F4N3S/c17-11-5-3-10(4-6-11)13-8-14(16(18,19)20)23-15(22-13)21-9-12-2-1-7-24-12/h1-8H,9H2,(H,21,22,23)
InChIKeyHAQQFJKNSHWZRT-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.98
Rot. Bonds4

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

4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2052763) has the molecular formula C16H11F4N3S and a molecular weight of 353.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2052763
Molecular FormulaC16H11F4N3S
Molecular Weight353.34 g/mol
Exact Mass353.06
IUPAC Name4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)cc1
InChIInChI=1S/C16H11F4N3S/c17-11-5-3-10(4-6-11)13-8-14(16(18,19)20)23-15(22-13)21-9-12-2-1-7-24-12/h1-8H,9H2,(H,21,22,23)
InChIKeyHAQQFJKNSHWZRT-UHFFFAOYSA-N
XLogP4.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 2052763) is 4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is Fc1ccc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HAQQFJKNSHWZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3S/c17-11-5-3-10(4-6-11)13-8-14(16(18,19)20)23-15(22-13)21-9-12-2-1-7-24-12/h1-8H,9H2,(H,21,22,23).
What are the key properties of 4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 353.34 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2052763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).