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

C21H16F3N5S — CID 155514726

IUPACN,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(-c2ccsc2)cc(N(Cc2ccccn2)Cc2ccccn2)n1
InChIInChI=1S/C21H16F3N5S/c22-21(23,24)20-27-18(15-7-10-30-14-15)11-19(28-20)29(12-16-5-1-3-8-25-16)13-17-6-2-4-9-26-17/h1-11,14H,12-13H2
InChIKeyBCQRIJCEYJIMMJ-UHFFFAOYSA-N
MW427.46 g/mol
LogP5.22
Rot. Bonds6

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

N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 155514726) has the molecular formula C21H16F3N5S and a molecular weight of 427.46 g/mol. Its IUPAC name is N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID155514726
Molecular FormulaC21H16F3N5S
Molecular Weight427.46 g/mol
Exact Mass427.11
IUPAC NameN,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(-c2ccsc2)cc(N(Cc2ccccn2)Cc2ccccn2)n1
InChIInChI=1S/C21H16F3N5S/c22-21(23,24)20-27-18(15-7-10-30-14-15)11-19(28-20)29(12-16-5-1-3-8-25-16)13-17-6-2-4-9-26-17/h1-11,14H,12-13H2
InChIKeyBCQRIJCEYJIMMJ-UHFFFAOYSA-N
XLogP5.22
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine (CID 155514726) is N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nc(-c2ccsc2)cc(N(Cc2ccccn2)Cc2ccccn2)n1.
What is the InChIKey of N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BCQRIJCEYJIMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5S/c22-21(23,24)20-27-18(15-7-10-30-14-15)11-19(28-20)29(12-16-5-1-3-8-25-16)13-17-6-2-4-9-26-17/h1-11,14H,12-13H2.
What are the key properties of N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine?
N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 427.46 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(pyridin-2-ylmethyl)-6-thiophen-3-yl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 155514726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).