N-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine

C15H11F3N4S — CID 2990129

IUPACN-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2cccs2)nc(NCc2cccnc2)n1
InChIInChI=1S/C15H11F3N4S/c16-15(17,18)13-7-11(12-4-2-6-23-12)21-14(22-13)20-9-10-3-1-5-19-8-10/h1-8H,9H2,(H,20,21,22)
InChIKeyRPFJVIDKDUQOND-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.23
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine

N-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2990129) has the molecular formula C15H11F3N4S and a molecular weight of 336.34 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2990129
Molecular FormulaC15H11F3N4S
Molecular Weight336.34 g/mol
Exact Mass336.07
IUPAC NameN-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2cccs2)nc(NCc2cccnc2)n1
InChIInChI=1S/C15H11F3N4S/c16-15(17,18)13-7-11(12-4-2-6-23-12)21-14(22-13)20-9-10-3-1-5-19-8-10/h1-8H,9H2,(H,20,21,22)
InChIKeyRPFJVIDKDUQOND-UHFFFAOYSA-N
XLogP4.23
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine (CID 2990129) is N-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2cccs2)nc(NCc2cccnc2)n1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RPFJVIDKDUQOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4S/c16-15(17,18)13-7-11(12-4-2-6-23-12)21-14(22-13)20-9-10-3-1-5-19-8-10/h1-8H,9H2,(H,20,21,22).
What are the key properties of N-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
N-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 336.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2990129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).