6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine

C16H8ClF6N5 — CID 11774464

IUPAC6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
SMILESFc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2NCC(F)(F)F)c(F)c1
InChIInChI=1S/C16H8ClF6N5/c17-13-12(11-8(19)3-7(18)4-9(11)20)15(26-6-16(21,22)23)28-14(27-13)10-5-24-1-2-25-10/h1-5H,6H2,(H,26,27,28)
InChIKeyRFSSBTBRSZAIBG-UHFFFAOYSA-N
MW419.72 g/mol
LogP4.65
Rot. Bonds4

About 6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine

6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine (PubChem CID 11774464) has the molecular formula C16H8ClF6N5 and a molecular weight of 419.72 g/mol. Its IUPAC name is 6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
PubChem CID11774464
Molecular FormulaC16H8ClF6N5
Molecular Weight419.72 g/mol
Exact Mass419.04
IUPAC Name6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
SMILESFc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2NCC(F)(F)F)c(F)c1
InChIInChI=1S/C16H8ClF6N5/c17-13-12(11-8(19)3-7(18)4-9(11)20)15(26-6-16(21,22)23)28-14(27-13)10-5-24-1-2-25-10/h1-5H,6H2,(H,26,27,28)
InChIKeyRFSSBTBRSZAIBG-UHFFFAOYSA-N
XLogP4.65
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.72
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine (CID 11774464) is 6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine is Fc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2NCC(F)(F)F)c(F)c1.
What is the InChIKey of 6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is RFSSBTBRSZAIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF6N5/c17-13-12(11-8(19)3-7(18)4-9(11)20)15(26-6-16(21,22)23)28-14(27-13)10-5-24-1-2-25-10/h1-5H,6H2,(H,26,27,28).
What are the key properties of 6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 419.72 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 11774464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).