N-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

C19H14F3N5S — CID 18460097

IUPACN-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3cnccn3)nc2s1
InChIInChI=1S/C19H14F3N5S/c20-19(21,22)15-10-13-16(25-7-6-12-4-2-1-3-5-12)26-17(27-18(13)28-15)14-11-23-8-9-24-14/h1-5,8-11H,6-7H2,(H,25,26,27)
InChIKeyQHWQLVWUJBYHQN-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.82
Rot. Bonds5

About N-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

N-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460097) has the molecular formula C19H14F3N5S and a molecular weight of 401.42 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460097
Molecular FormulaC19H14F3N5S
Molecular Weight401.42 g/mol
Exact Mass401.09
IUPAC NameN-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3cnccn3)nc2s1
InChIInChI=1S/C19H14F3N5S/c20-19(21,22)15-10-13-16(25-7-6-12-4-2-1-3-5-12)26-17(27-18(13)28-15)14-11-23-8-9-24-14/h1-5,8-11H,6-7H2,(H,25,26,27)
InChIKeyQHWQLVWUJBYHQN-UHFFFAOYSA-N
XLogP4.82
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (CID 18460097) is N-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3cnccn3)nc2s1.
What is the InChIKey of N-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QHWQLVWUJBYHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5S/c20-19(21,22)15-10-13-16(25-7-6-12-4-2-1-3-5-12)26-17(27-18(13)28-15)14-11-23-8-9-24-14/h1-5,8-11H,6-7H2,(H,25,26,27).
What are the key properties of N-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 401.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).