N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C16H12F3N3S — CID 3233043

IUPACN-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nccc(NCc2cccs2)n1
InChIInChI=1S/C16H12F3N3S/c17-16(18,19)13-6-2-1-5-12(13)15-20-8-7-14(22-15)21-10-11-4-3-9-23-11/h1-9H,10H2,(H,20,21,22)
InChIKeyYHBFZFJWGQUQDJ-UHFFFAOYSA-N
MW335.35 g/mol
LogP4.84
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3233043) has the molecular formula C16H12F3N3S and a molecular weight of 335.35 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3233043
Molecular FormulaC16H12F3N3S
Molecular Weight335.35 g/mol
Exact Mass335.07
IUPAC NameN-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nccc(NCc2cccs2)n1
InChIInChI=1S/C16H12F3N3S/c17-16(18,19)13-6-2-1-5-12(13)15-20-8-7-14(22-15)21-10-11-4-3-9-23-11/h1-9H,10H2,(H,20,21,22)
InChIKeyYHBFZFJWGQUQDJ-UHFFFAOYSA-N
XLogP4.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3233043) is N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is FC(F)(F)c1ccccc1-c1nccc(NCc2cccs2)n1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is YHBFZFJWGQUQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3S/c17-16(18,19)13-6-2-1-5-12(13)15-20-8-7-14(22-15)21-10-11-4-3-9-23-11/h1-9H,10H2,(H,20,21,22).
What are the key properties of N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 335.35 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3233043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).