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

C17H9ClF6N4 — CID 11362109

IUPAC6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
SMILESFc1cc(F)c(-c2c(Cl)nc(-c3ccccn3)nc2NCC(F)(F)F)c(F)c1
InChIInChI=1S/C17H9ClF6N4/c18-14-13(12-9(20)5-8(19)6-10(12)21)16(26-7-17(22,23)24)28-15(27-14)11-3-1-2-4-25-11/h1-6H,7H2,(H,26,27,28)
InChIKeyPYOACZADEZQCJS-UHFFFAOYSA-N
MW418.73 g/mol
LogP5.25
Rot. Bonds4

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

6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine (PubChem CID 11362109) has the molecular formula C17H9ClF6N4 and a molecular weight of 418.73 g/mol. Its IUPAC name is 6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
PubChem CID11362109
Molecular FormulaC17H9ClF6N4
Molecular Weight418.73 g/mol
Exact Mass418.04
IUPAC Name6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
SMILESFc1cc(F)c(-c2c(Cl)nc(-c3ccccn3)nc2NCC(F)(F)F)c(F)c1
InChIInChI=1S/C17H9ClF6N4/c18-14-13(12-9(20)5-8(19)6-10(12)21)16(26-7-17(22,23)24)28-15(27-14)11-3-1-2-4-25-11/h1-6H,7H2,(H,26,27,28)
InChIKeyPYOACZADEZQCJS-UHFFFAOYSA-N
XLogP5.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.73
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine (CID 11362109) is 6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine is Fc1cc(F)c(-c2c(Cl)nc(-c3ccccn3)nc2NCC(F)(F)F)c(F)c1.
What is the InChIKey of 6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is PYOACZADEZQCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF6N4/c18-14-13(12-9(20)5-8(19)6-10(12)21)16(26-7-17(22,23)24)28-15(27-14)11-3-1-2-4-25-11/h1-6H,7H2,(H,26,27,28).
What are the key properties of 6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 418.73 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyridin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 11362109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).